6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol

C17H38N2O — CID 64827639

IUPAC6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCCCN(CCCCC(C)(CO)NCC)C(C)CC
InChIInChI=1S/C17H38N2O/c1-6-9-13-19(16(4)7-2)14-11-10-12-17(5,15-20)18-8-3/h16,18,20H,6-15H2,1-5H3
InChIKeySGCHIBQFRDUCAR-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.42
Rot. Bonds13

About 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol

6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64827639) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64827639
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCCCN(CCCCC(C)(CO)NCC)C(C)CC
InChIInChI=1S/C17H38N2O/c1-6-9-13-19(16(4)7-2)14-11-10-12-17(5,15-20)18-8-3/h16,18,20H,6-15H2,1-5H3
InChIKeySGCHIBQFRDUCAR-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64827631
2-(ethylamino)-6-[2-methoxyethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 82965249
6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825430
2-(ethylamino)-2-methyl-5-[2-methylpropyl(propan-2-yl)amino]pentan-1-ol
CID 64828003
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962
2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol
CID 64808310
2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol
CID 64796168
2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol
CID 64797449
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]-2-methylbutan-1-ol
CID 64797860
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825496
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638

Frequently Asked Questions

What is the IUPAC name of 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol (CID 64827639) is 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol is CCCCN(CCCCC(C)(CO)NCC)C(C)CC.
What is the InChIKey of 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is SGCHIBQFRDUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-6-9-13-19(16(4)7-2)14-11-10-12-17(5,15-20)18-8-3/h16,18,20H,6-15H2,1-5H3.
What are the key properties of 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 286.50 g/mol, XLogP of 3.42, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64827639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).