4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol

C16H31NO — CID 115239975

IUPAC4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(CNCC1CCC(O)CC1)C1CCCC1
InChIInChI=1S/C16H31NO/c1-16(2,14-5-3-4-6-14)12-17-11-13-7-9-15(18)10-8-13/h13-15,17-18H,3-12H2,1-2H3
InChIKeyUVTOLXOEJODRFO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds5

About 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol

4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 115239975) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
PubChem CID115239975
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(CNCC1CCC(O)CC1)C1CCCC1
InChIInChI=1S/C16H31NO/c1-16(2,14-5-3-4-6-14)12-17-11-13-7-9-15(18)10-8-13/h13-15,17-18H,3-12H2,1-2H3
InChIKeyUVTOLXOEJODRFO-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213767
N-(azetidin-3-ylmethyl)-2-cyclohexyl-2-methylpropan-1-amine
CID 115208032
4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
CID 115240315
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
CID 115223611
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
2-cyclobutyl-2-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209786
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
2-cyclobutyl-2-methyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 115209472

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol (CID 115239975) is 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol is CC(C)(CNCC1CCC(O)CC1)C1CCCC1.
What is the InChIKey of 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is UVTOLXOEJODRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-16(2,14-5-3-4-6-14)12-17-11-13-7-9-15(18)10-8-13/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol?
4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115239975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).