5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol

C15H31NO — CID 107270228

IUPAC5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-12(17)8-7-11-16-14-10-6-5-9-13(14)15(2,3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyCKFNCJCANLPYSG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds5

About 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol

5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol (PubChem CID 107270228) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
PubChem CID107270228
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-12(17)8-7-11-16-14-10-6-5-9-13(14)15(2,3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyCKFNCJCANLPYSG-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
2-(3-hydroxybutylamino)cycloheptan-1-ol
CID 64911614
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125
2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 78878035
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 78958691
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 113261091
2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43079272

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol (CID 107270228) is 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol is CC(O)CCCNC1CCCCC1C(C)(C)C.
What is the InChIKey of 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol?
The InChIKey is CKFNCJCANLPYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(17)8-7-11-16-14-10-6-5-9-13(14)15(2,3)4/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol?
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol has a molecular weight of 241.42 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 5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 107270228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).