2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C19H39NO — CID 107871182

IUPAC2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC(C)CCN(CCC(C)C)CC1CC(C)(C)CCC1O
InChIInChI=1S/C19H39NO/c1-15(2)8-11-20(12-9-16(3)4)14-17-13-19(5,6)10-7-18(17)21/h15-18,21H,7-14H2,1-6H3
InChIKeyONSROHHRSBWGLQ-UHFFFAOYSA-N
MW297.53 g/mol
LogP4.57
Rot. Bonds8

About 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 107871182) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID107871182
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC(C)CCN(CCC(C)C)CC1CC(C)(C)CCC1O
InChIInChI=1S/C19H39NO/c1-15(2)8-11-20(12-9-16(3)4)14-17-13-19(5,6)10-7-18(17)21/h15-18,21H,7-14H2,1-6H3
InChIKeyONSROHHRSBWGLQ-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
CID 78993404
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79378005
4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol
CID 112665066
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 102871126
5,5-dimethyl-2-(2-methylpropyl)cyclohexan-1-ol
CID 134223783
2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid
CID 82405792
4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
CID 79490016
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
2-[[bis(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 62609389
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine
CID 82942066
2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 107871197

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 107871182) is 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CC(C)CCN(CCC(C)C)CC1CC(C)(C)CCC1O.
What is the InChIKey of 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is ONSROHHRSBWGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-15(2)8-11-20(12-9-16(3)4)14-17-13-19(5,6)10-7-18(17)21/h15-18,21H,7-14H2,1-6H3.
What are the key properties of 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 297.53 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 107871182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).