5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol

C13H27NO — CID 64741111

IUPAC5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol
SMILESCC1CCC(NCCCCCO)CC1C
InChIInChI=1S/C13H27NO/c1-11-6-7-13(10-12(11)2)14-8-4-3-5-9-15/h11-15H,3-10H2,1-2H3
InChIKeySXHIWKTYLIGBBG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds6

About 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol

5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol (PubChem CID 64741111) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol
PubChem CID64741111
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol
SMILESCC1CCC(NCCCCCO)CC1C
InChIInChI=1S/C13H27NO/c1-11-6-7-13(10-12(11)2)14-8-4-3-5-9-15/h11-15H,3-10H2,1-2H3
InChIKeySXHIWKTYLIGBBG-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
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

3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
CID 97030264
4-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 64731694
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
(1S,3S,4S)-N-(2-methoxyethyl)-3,4-dimethylcyclohexan-1-amine
CID 96732311
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808
6-[(3-aminocyclohexyl)amino]hexan-1-ol
CID 107848750
5-[(3-aminocyclohexyl)amino]pentan-1-ol
CID 107316668
tert-butyl N-[3-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354
6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
5-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107302983

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol (CID 64741111) is 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol is CC1CCC(NCCCCCO)CC1C.
What is the InChIKey of 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol?
The InChIKey is SXHIWKTYLIGBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-6-7-13(10-12(11)2)14-8-4-3-5-9-15/h11-15H,3-10H2,1-2H3.
What are the key properties of 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol?
5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 64741111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).