1-(cyclohexylmethylamino)pentan-3-ol

C12H25NO — CID 115757169

IUPAC1-(cyclohexylmethylamino)pentan-3-ol
SMILESCCC(O)CCNCC1CCCCC1
InChIInChI=1S/C12H25NO/c1-2-12(14)8-9-13-10-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3
InChIKeyVBWHCKFISBEWOR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds6

About 1-(cyclohexylmethylamino)pentan-3-ol

1-(cyclohexylmethylamino)pentan-3-ol (PubChem CID 115757169) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(cyclohexylmethylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(cyclohexylmethylamino)pentan-3-ol
PubChem CID115757169
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(cyclohexylmethylamino)pentan-3-ol
SMILESCCC(O)CCNCC1CCCCC1
InChIInChI=1S/C12H25NO/c1-2-12(14)8-9-13-10-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3
InChIKeyVBWHCKFISBEWOR-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
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

4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
CID 103876173
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
CID 89099495
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
tert-butyl 3-[(3-hydroxypentylamino)methyl]piperidine-1-carboxylate
CID 115703001
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol
CID 104694066
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylamino)pentan-3-ol?
The IUPAC name of 1-(cyclohexylmethylamino)pentan-3-ol (CID 115757169) is 1-(cyclohexylmethylamino)pentan-3-ol.
What is the SMILES notation for 1-(cyclohexylmethylamino)pentan-3-ol?
The canonical SMILES for 1-(cyclohexylmethylamino)pentan-3-ol is CCC(O)CCNCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylamino)pentan-3-ol?
The InChIKey is VBWHCKFISBEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-12(14)8-9-13-10-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3.
What are the key properties of 1-(cyclohexylmethylamino)pentan-3-ol?
1-(cyclohexylmethylamino)pentan-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylamino)pentan-3-ol is sourced from PubChem (CID 115757169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).