2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol

C19H39NO — CID 107871197

IUPAC2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCC(C)CCN(CCC(C)C)CC1C(C)CC(C)CC1O
InChIInChI=1S/C19H39NO/c1-14(2)7-9-20(10-8-15(3)4)13-18-17(6)11-16(5)12-19(18)21/h14-19,21H,7-13H2,1-6H3
InChIKeyAKENPLVQPLTYPE-UHFFFAOYSA-N
MW297.53 g/mol
LogP4.42
Rot. Bonds8

About 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol

2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 107871197) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID107871197
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCC(C)CCN(CCC(C)C)CC1C(C)CC(C)CC1O
InChIInChI=1S/C19H39NO/c1-14(2)7-9-20(10-8-15(3)4)13-18-17(6)11-16(5)12-19(18)21/h14-19,21H,7-13H2,1-6H3
InChIKeyAKENPLVQPLTYPE-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol (CID 107871197) is 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol is CC(C)CCN(CCC(C)C)CC1C(C)CC(C)CC1O.
What is the InChIKey of 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is AKENPLVQPLTYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-14(2)7-9-20(10-8-15(3)4)13-18-17(6)11-16(5)12-19(18)21/h14-19,21H,7-13H2,1-6H3.
What are the key properties of 2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 297.53 g/mol, XLogP of 4.42, 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]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 107871197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).