3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol

C14H27NO — CID 103277112

IUPAC3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCC1CC(C)=CC(C)C1
InChIInChI=1S/C14H27NO/c1-4-14(5-6-16)15-10-13-8-11(2)7-12(3)9-13/h7,11,13-16H,4-6,8-10H2,1-3H3
InChIKeyKGDXHHLPNAGGJX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds6

About 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol

3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol (PubChem CID 103277112) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol
PubChem CID103277112
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCC1CC(C)=CC(C)C1
InChIInChI=1S/C14H27NO/c1-4-14(5-6-16)15-10-13-8-11(2)7-12(3)9-13/h7,11,13-16H,4-6,8-10H2,1-3H3
InChIKeyKGDXHHLPNAGGJX-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butylamino]ethanol
CID 46193852
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106173030
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 113797566
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol
CID 58168867
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
1,2,3,4,4a,5,8,8a-Octahydroquinolin-8-ylmethanol
CID 68213276
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
(4-Pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
CID 70034791
1-[[(2R)-1-cyclohex-3-en-1-ylpropan-2-yl]amino]hexadecan-1-ol
CID 70886588
2-Cyclohept-4-en-1-yl-1-[(4-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 71035493

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol (CID 103277112) is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol is CCC(CCO)NCC1CC(C)=CC(C)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol?
The InChIKey is KGDXHHLPNAGGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-14(5-6-16)15-10-13-8-11(2)7-12(3)9-13/h7,11,13-16H,4-6,8-10H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol?
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103277112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).