2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol

C17H33NO — CID 23388565

IUPAC2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C17H33NO/c1-16(2,14-19)18-13-17(11-7-4-8-12-17)15-9-5-3-6-10-15/h15,18-19H,3-14H2,1-2H3
InChIKeyPQKWTXFBHLVWIJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.88
Rot. Bonds5

About 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol

2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol (PubChem CID 23388565) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol
PubChem CID23388565
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C17H33NO/c1-16(2,14-19)18-13-17(11-7-4-8-12-17)15-9-5-3-6-10-15/h15,18-19H,3-14H2,1-2H3
InChIKeyPQKWTXFBHLVWIJ-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
CID 82933466
N-[(1-cyclopentylcyclohexyl)methyl]ethanamine
CID 82932904
N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
CID 82932929
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
CID 82932753
N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
CID 82934395
(4-tert-butyl-1-cycloheptylcyclohexyl)methanol
CID 82936388
1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol
CID 70375082
1-butyl-1-cycloheptylcycloheptane
CID 140610618
N-cyclopentyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43389811
2-[(3aS,7aR)-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethane-1,1-diol
CID 59877546

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol (CID 23388565) is 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCC1(C2CCCCC2)CCCCC1.
What is the InChIKey of 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is PQKWTXFBHLVWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,14-19)18-13-17(11-7-4-8-12-17)15-9-5-3-6-10-15/h15,18-19H,3-14H2,1-2H3.
What are the key properties of 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol?
2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 23388565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).