4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol

C17H31NO — CID 134232437

IUPAC4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol
SMILESCC1(NCC2CCC(O)CC2)CC2CCCC(C2)C1
InChIInChI=1S/C17H31NO/c1-17(10-14-3-2-4-15(9-14)11-17)18-12-13-5-7-16(19)8-6-13/h13-16,18-19H,2-12H2,1H3
InChIKeyWHBHBNQDFBOZIK-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.49
Rot. Bonds3

About 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol

4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol (PubChem CID 134232437) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol
PubChem CID134232437
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol
SMILESCC1(NCC2CCC(O)CC2)CC2CCCC(C2)C1
InChIInChI=1S/C17H31NO/c1-17(10-14-3-2-4-15(9-14)11-17)18-12-13-5-7-16(19)8-6-13/h13-16,18-19H,2-12H2,1H3
InChIKeyWHBHBNQDFBOZIK-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine
CID 115868570
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 114146901
N-(cyclopentylmethyl)adamantan-1-amine
CID 61345167
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551
4-[[(1-methylpiperidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 106126243
3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 130693816
N-(cyclopropylmethyl)-3-methyloxan-3-amine
CID 103897448
2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 106137098
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
4-[[(2-ethylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 106125475
N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine
CID 79998469
N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine
CID 130871052

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol (CID 134232437) is 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol is CC1(NCC2CCC(O)CC2)CC2CCCC(C2)C1.
What is the InChIKey of 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WHBHBNQDFBOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-17(10-14-3-2-4-15(9-14)11-17)18-12-13-5-7-16(19)8-6-13/h13-16,18-19H,2-12H2,1H3.
What are the key properties of 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol?
4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 134232437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).