ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol

C15H33NO — CID 145208915

IUPACethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol
SMILESC=C(CCC(C)(CC)CC)NCCCO.CC
InChIInChI=1S/C13H27NO.C2H6/c1-5-13(4,6-2)9-8-12(3)14-10-7-11-15;1-2/h14-15H,3,5-11H2,1-2,4H3;1-2H3
InChIKeyONPGJDSQFXMWJO-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.10
Rot. Bonds9

About ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol

ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol (PubChem CID 145208915) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Nameethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol
PubChem CID145208915
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Nameethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol
SMILESC=C(CCC(C)(CC)CC)NCCCO.CC
InChIInChI=1S/C13H27NO.C2H6/c1-5-13(4,6-2)9-8-12(3)14-10-7-11-15;1-2/h14-15H,3,5-11H2,1-2,4H3;1-2H3
InChIKeyONPGJDSQFXMWJO-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Carbanide;1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol;zirconium(4+)
CID 59953168
3-Methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol
CID 135213216
2-[(3-Tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol
CID 144687435
2-[(3-Ethyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol;propane
CID 145624373
5-(4,4,6,6,8,8-Hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol
CID 167513339
(E)-3-methyl-2-(3-methylhexan-2-ylamino)but-1-en-1-ol
CID 169939050
1-(1-Cyclopentylethenylamino)-2,2-dimethylpropan-1-ol
CID 59953169
2-Ethyl-2-[(hept-6-enylamino)methyl]butan-1-ol
CID 106255841
(Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol
CID 143357275
3-[(5-Ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol
CID 145208916
2-[(3-Ethyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol
CID 145624374
3-[(5-Methyl-6-methylidene-5-octylpentadecyl)amino]propan-1-ol
CID 170615602

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol?
The IUPAC name of ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol (CID 145208915) is ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol.
What is the SMILES notation for ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol?
The canonical SMILES for ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol is C=C(CCC(C)(CC)CC)NCCCO.CC.
What is the InChIKey of ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol?
The InChIKey is ONPGJDSQFXMWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C2H6/c1-5-13(4,6-2)9-8-12(3)14-10-7-11-15;1-2/h14-15H,3,5-11H2,1-2,4H3;1-2H3.
What are the key properties of ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol?
ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol is sourced from PubChem (CID 145208915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).