2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol

C16H36N2O — CID 64798749

IUPAC2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN(C)CC(C)CC
InChIInChI=1S/C16H36N2O/c1-6-11-17-16(4,14-19)10-8-9-12-18(5)13-15(3)7-2/h15,17,19H,6-14H2,1-5H3
InChIKeyTVGMNTWIIYUJOR-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.89
Rot. Bonds12

About 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol

2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol (PubChem CID 64798749) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol
PubChem CID64798749
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN(C)CC(C)CC
InChIInChI=1S/C16H36N2O/c1-6-11-17-16(4,14-19)10-8-9-12-18(5)13-15(3)7-2/h15,17,19H,6-14H2,1-5H3
InChIKeyTVGMNTWIIYUJOR-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.89
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

2-methyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentan-1-ol
CID 64796336
6-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
CID 64825383
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 64797672
6-(dipropylamino)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796522
2-methyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64796845
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476
2-methyl-5-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64827398
2-methyl-5-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64827986
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)pentan-1-ol
CID 64791640
2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol
CID 64827792
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol (CID 64798749) is 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN(C)CC(C)CC.
What is the InChIKey of 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol?
The InChIKey is TVGMNTWIIYUJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-6-11-17-16(4,14-19)10-8-9-12-18(5)13-15(3)7-2/h15,17,19H,6-14H2,1-5H3.
What are the key properties of 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol?
2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol has a molecular weight of 272.48 g/mol, XLogP of 2.89, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64798749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).