2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol

C18H38N2O — CID 64827792

IUPAC2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN(C)C1CCC(C)CC1
InChIInChI=1S/C18H38N2O/c1-5-13-19-18(3,15-21)12-6-7-14-20(4)17-10-8-16(2)9-11-17/h16-17,19,21H,5-15H2,1-4H3
InChIKeyROTDBXCIRMNWRF-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.42
Rot. Bonds10

About 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol

2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol (PubChem CID 64827792) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol
PubChem CID64827792
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN(C)C1CCC(C)CC1
InChIInChI=1S/C18H38N2O/c1-5-13-19-18(3,15-21)12-6-7-14-20(4)17-10-8-16(2)9-11-17/h16-17,19,21H,5-15H2,1-4H3
InChIKeyROTDBXCIRMNWRF-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
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

2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
6-(dipropylamino)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796522
6-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
CID 64825383
2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol
CID 64827999
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
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088
2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol
CID 64798749
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476
N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol (CID 64827792) is 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN(C)C1CCC(C)CC1.
What is the InChIKey of 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol?
The InChIKey is ROTDBXCIRMNWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-13-19-18(3,15-21)12-6-7-14-20(4)17-10-8-16(2)9-11-17/h16-17,19,21H,5-15H2,1-4H3.
What are the key properties of 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol?
2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol has a molecular weight of 298.52 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64827792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).