5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol

C14H29NO — CID 103897688

IUPAC5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-14(2,9-6-10-16)12-15-11-13-7-4-3-5-8-13/h13,15-16H,3-12H2,1-2H3
InChIKeyALXKTASEXYPZKE-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds7

About 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol

5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 103897688) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
PubChem CID103897688
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-14(2,9-6-10-16)12-15-11-13-7-4-3-5-8-13/h13,15-16H,3-12H2,1-2H3
InChIKeyALXKTASEXYPZKE-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
CID 114224006
2-(cyclopropylmethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148251
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 107095327
N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 115255287
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
4-cycloheptylbutan-1-ol
CID 54439965

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol (CID 103897688) is 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is ALXKTASEXYPZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,9-6-10-16)12-15-11-13-7-4-3-5-8-13/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol?
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).