ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)

C134H208N12O4 — CID 160543863

IUPACethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)
SMILESCC.CC.CC.CC.CC(C)CCCCc1c[nH]c2ccccc12.CC(C)CCCCc1c[nH]c2ccccc12.CC(C)CN(CCO)CCc1c[nH]c2ccccc12.CC(C)CN(CO)CCc1c[nH]c2ccccc12.Cc1[nH]c2ccccc2c1CCCCC(C)C.Cc1[nH]c2ccccc2c1CCCCC(C)C.Cc1[nH]c2ccccc2c1CCN(CCO)CC(C)C.Cc1[nH]c2ccccc2c1CCN(CO)CC(C)C
InChIInChI=1S/C17H26N2O.2C16H24N2O.2C16H23N.C15H22N2O.2C15H21N.4C2H6/c1-13(2)12-19(10-11-20)9-8-15-14(3)18-17-7-5-4-6-16(15)17;1-12(2)10-18(11-19)9-8-14-13(3)17-16-7-5-4-6-15(14)16;1-13(2)12-18(9-10-19)8-7-14-11-17-16-6-4-3-5-15(14)16;2*1-12(2)8-4-5-9-14-13(3)17-16-11-7-6-10-15(14)16;1-12(2)10-17(11-18)8-7-13-9-16-15-6-4-3-5-14(13)15;2*1-12(2)7-3-4-8-13-11-16-15-10-6-5-9-14(13)15;4*1-2/h4-7,13,18,20H,8-12H2,1-3H3;4-7,12,17,19H,8-11H2,1-3H3;3-6,11,13,17,19H,7-10,12H2,1-2H3;2*6-7,10-12,17H,4-5,8-9H2,1-3H3;3-6,9,12,16,18H,7-8,10-11H2,1-2H3;2*5-6,9-12,16H,3-4,7-8H2,1-2H3;4*1-2H3
InChIKeyQXDUVYUYJKOIQS-UHFFFAOYSA-N
MW2051.22 g/mol
LogP34.04
Rot. Bonds46

About ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)

ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole) (PubChem CID 160543863) has the molecular formula C134H208N12O4 and a molecular weight of 2051.22 g/mol. Its IUPAC name is ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole).

Molecular Properties

Compound Nameethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)
PubChem CID160543863
Molecular FormulaC134H208N12O4
Molecular Weight2051.22 g/mol
Exact Mass2049.64
IUPAC Nameethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)
SMILESCC.CC.CC.CC.CC(C)CCCCc1c[nH]c2ccccc12.CC(C)CCCCc1c[nH]c2ccccc12.CC(C)CN(CCO)CCc1c[nH]c2ccccc12.CC(C)CN(CO)CCc1c[nH]c2ccccc12.Cc1[nH]c2ccccc2c1CCCCC(C)C.Cc1[nH]c2ccccc2c1CCCCC(C)C.Cc1[nH]c2ccccc2c1CCN(CCO)CC(C)C.Cc1[nH]c2ccccc2c1CCN(CO)CC(C)C
InChIInChI=1S/C17H26N2O.2C16H24N2O.2C16H23N.C15H22N2O.2C15H21N.4C2H6/c1-13(2)12-19(10-11-20)9-8-15-14(3)18-17-7-5-4-6-16(15)17;1-12(2)10-18(11-19)9-8-14-13(3)17-16-7-5-4-6-15(14)16;1-13(2)12-18(9-10-19)8-7-14-11-17-16-6-4-3-5-15(14)16;2*1-12(2)8-4-5-9-14-13(3)17-16-11-7-6-10-15(14)16;1-12(2)10-17(11-18)8-7-13-9-16-15-6-4-3-5-14(13)15;2*1-12(2)7-3-4-8-13-11-16-15-10-6-5-9-14(13)15;4*1-2/h4-7,13,18,20H,8-12H2,1-3H3;4-7,12,17,19H,8-11H2,1-3H3;3-6,11,13,17,19H,7-10,12H2,1-2H3;2*6-7,10-12,17H,4-5,8-9H2,1-3H3;3-6,9,12,16,18H,7-8,10-11H2,1-2H3;2*5-6,9-12,16H,3-4,7-8H2,1-2H3;4*1-2H3
InChIKeyQXDUVYUYJKOIQS-UHFFFAOYSA-N
XLogP34.04
TPSA220.20 Ų
H-Bond Donors12
H-Bond Acceptors8
Rotatable Bonds46
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002051.22
LogP ≤ 534.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole) with MolForge

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Related Compounds

Gramicidin A
CID 16132269
Gramicidina
CID 16130140
Gramicidin D
CID 45267103
Gramicidin
CID 16170150
DC_05
CID 16451230
Ac-Val-Gly-Ala-D-Leu-Ala-D-Val-Val-D-Val-Trp-D-Leu-Trp-D-Leu-Trp-D-Leu-Trp-Gly-ol
CID 134144563
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
CID 134143119
CID 134143119
Ilpwkwpwwpwpp-NH2
CID 16197752
Lpwkwpwwpwpp-NH2
CID 16197753
Ilpwkwpwwpwp-NH2
CID 16197754
Ilawkwawwawpp-NH2
CID 16197757

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)?
The IUPAC name of ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole) (CID 160543863) is ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole).
What is the SMILES notation for ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)?
The canonical SMILES for ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole) is CC.CC.CC.CC.CC(C)CCCCc1c[nH]c2ccccc12.CC(C)CCCCc1c[nH]c2ccccc12.CC(C)CN(CCO)CCc1c[nH]c2ccccc12.CC(C)CN(CO)CCc1c[nH]c2ccccc12.Cc1[nH]c2ccccc2c1CCCCC(C)C.Cc1[nH]c2ccccc2c1CCCCC(C)C.Cc1[nH]c2ccccc2c1CCN(CCO)CC(C)C.Cc1[nH]c2ccccc2c1CCN(CO)CC(C)C.
What is the InChIKey of ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)?
The InChIKey is QXDUVYUYJKOIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.2C16H24N2O.2C16H23N.C15H22N2O.2C15H21N.4C2H6/c1-13(2)12-19(10-11-20)9-8-15-14(3)18-17-7-5-4-6-16(15)17;1-12(2)10-18(11-19)9-8-14-13(3)17-16-7-5-4-6-15(14)16;1-13(2)12-18(9-10-19)8-7-14-11-17-16-6-4-3-5-15(14)16;2*1-12(2)8-4-5-9-14-13(3)17-16-11-7-6-10-15(14)16;1-12(2)10-17(11-18)8-7-13-9-16-15-6-4-3-5-14(13)15;2*1-12(2)7-3-4-8-13-11-16-15-10-6-5-9-14(13)15;4*1-2/h4-7,13,18,20H,8-12H2,1-3H3;4-7,12,17,19H,8-11H2,1-3H3;3-6,11,13,17,19H,7-10,12H2,1-2H3;2*6-7,10-12,17H,4-5,8-9H2,1-3H3;3-6,9,12,16,18H,7-8,10-11H2,1-2H3;2*5-6,9-12,16H,3-4,7-8H2,1-2H3;4*1-2H3.
What are the key properties of ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole)?
ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole) has a molecular weight of 2051.22 g/mol, XLogP of 34.04, 46 rotatable bonds, 12 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(3-(5-methylhexyl)-1H-indole);2-[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]ethanol;[2-(2-methyl-1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol;bis(2-methyl-3-(5-methylhexyl)-1H-indole) is sourced from PubChem (CID 160543863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).