[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol

C17H33NO — CID 104576140

IUPAC[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(C(O)C2(CN)CCCC2)CC1
InChIInChI=1S/C17H33NO/c1-16(2,3)14-8-6-13(7-9-14)15(19)17(12-18)10-4-5-11-17/h13-15,19H,4-12,18H2,1-3H3
InChIKeyZEFICHRSXMTILQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.72
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol

[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol (PubChem CID 104576140) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
PubChem CID104576140
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(C(O)C2(CN)CCCC2)CC1
InChIInChI=1S/C17H33NO/c1-16(2,3)14-8-6-13(7-9-14)15(19)17(12-18)10-4-5-11-17/h13-15,19H,4-12,18H2,1-3H3
InChIKeyZEFICHRSXMTILQ-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
[1-(aminomethyl)-4-tert-butylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133817
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
CID 79126283
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
CID 79123292
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
CID 79138435
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
CID 112752648
methyl 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetate
CID 79123304
[1-(aminomethyl)cyclobutyl]-(2,2-dimethylcyclopropyl)methanol
CID 165443186

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol (CID 104576140) is [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol is CC(C)(C)C1CCC(C(O)C2(CN)CCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol?
The InChIKey is ZEFICHRSXMTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,3)14-8-6-13(7-9-14)15(19)17(12-18)10-4-5-11-17/h13-15,19H,4-12,18H2,1-3H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol?
[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol has a molecular weight of 267.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol is sourced from PubChem (CID 104576140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).