1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C17H33NO — CID 65116763

IUPAC1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1CCCC(C)C1NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C17H33NO/c1-13-6-5-7-14(2)15(13)18-12-17(19)10-8-16(3,4)9-11-17/h13-15,18-19H,5-12H2,1-4H3
InChIKeyWIPVVUZKHAGBCM-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.73
Rot. Bonds3

About 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65116763) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65116763
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1CCCC(C)C1NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C17H33NO/c1-13-6-5-7-14(2)15(13)18-12-17(19)10-8-16(3,4)9-11-17/h13-15,18-19H,5-12H2,1-4H3
InChIKeyWIPVVUZKHAGBCM-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 65116763) is 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CC1CCCC(C)C1NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is WIPVVUZKHAGBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13-6-5-7-14(2)15(13)18-12-17(19)10-8-16(3,4)9-11-17/h13-15,18-19H,5-12H2,1-4H3.
What are the key properties of 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65116763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).