[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol

C16H31NO — CID 103700508

IUPAC[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol
SMILESCC(C)(C)C1CCC(NC2CCCC2CO)CC1
InChIInChI=1S/C16H31NO/c1-16(2,3)13-7-9-14(10-8-13)17-15-6-4-5-12(15)11-18/h12-15,17-18H,4-11H2,1-3H3
InChIKeyPBZBWLDSQHRMSS-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds3

About [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol

[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol (PubChem CID 103700508) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol
PubChem CID103700508
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol
SMILESCC(C)(C)C1CCC(NC2CCCC2CO)CC1
InChIInChI=1S/C16H31NO/c1-16(2,3)13-7-9-14(10-8-13)17-15-6-4-5-12(15)11-18/h12-15,17-18H,4-11H2,1-3H3
InChIKeyPBZBWLDSQHRMSS-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol (CID 103700508) is [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol is CC(C)(C)C1CCC(NC2CCCC2CO)CC1.
What is the InChIKey of [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol?
The InChIKey is PBZBWLDSQHRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-16(2,3)13-7-9-14(10-8-13)17-15-6-4-5-12(15)11-18/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol?
[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 103700508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).