3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol

C14H29NO — CID 64751671

IUPAC3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol
SMILESCCCCCN(C)C1C(C)CC(C)CC1O
InChIInChI=1S/C14H29NO/c1-5-6-7-8-15(4)14-12(3)9-11(2)10-13(14)16/h11-14,16H,5-10H2,1-4H3
InChIKeyLCPBOVDHKBQDJH-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.90
Rot. Bonds5

About 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol

3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol (PubChem CID 64751671) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol
PubChem CID64751671
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol
SMILESCCCCCN(C)C1C(C)CC(C)CC1O
InChIInChI=1S/C14H29NO/c1-5-6-7-8-15(4)14-12(3)9-11(2)10-13(14)16/h11-14,16H,5-10H2,1-4H3
InChIKeyLCPBOVDHKBQDJH-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 64724849
(1S,3R,4S,5R)-4-heptoxy-5-[methyl(nonyl)amino]cyclopentane-1,3-diol
CID 70583774
3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 64753449
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol
CID 64750698
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736657
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
(1S,3R,4S,5R)-4-[heptyl(methyl)amino]-5-(2-hydroxyheptoxy)cyclopentane-1,3-diol
CID 70583370
2-[2-ethoxyethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751103
2-[cyclopropylmethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751878
3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol
CID 79483325
2-N-(3-methoxypropyl)-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751365

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol (CID 64751671) is 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol is CCCCCN(C)C1C(C)CC(C)CC1O.
What is the InChIKey of 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol?
The InChIKey is LCPBOVDHKBQDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-7-8-15(4)14-12(3)9-11(2)10-13(14)16/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol?
3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 64751671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).