6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol

C15H29NO — CID 107849599

IUPAC6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol
SMILESCC1=CC(C)CC(CNCCCCCCO)C1
InChIInChI=1S/C15H29NO/c1-13-9-14(2)11-15(10-13)12-16-7-5-3-4-6-8-17/h9,13,15-17H,3-8,10-12H2,1-2H3
InChIKeyINHTWHBLFBAFIS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.12
Rot. Bonds8

About 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol

6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol (PubChem CID 107849599) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol
PubChem CID107849599
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol
SMILESCC1=CC(C)CC(CNCCCCCCO)C1
InChIInChI=1S/C15H29NO/c1-13-9-14(2)11-15(10-13)12-16-7-5-3-4-6-8-17/h9,13,15-17H,3-8,10-12H2,1-2H3
InChIKeyINHTWHBLFBAFIS-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol with MolForge

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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
4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
5-(Ethylaminomethyl)-3,6-difluorooct-6-en-1-ol
CID 123706605
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
3-(2,3,6,7-tetrahydro-1H-azepin-4-yl)propan-1-ol
CID 67951249
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
[4-(1,2,3,6-Tetrahydropyridin-4-yl)cyclohexen-1-yl]methanol
CID 68199880
2-Methylidene-5-(1,2,3,6-tetrahydropyridin-4-yl)hexan-1-ol
CID 68213303
(Z)-2-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)hept-4-en-1-ol
CID 68213313
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol (CID 107849599) is 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol is CC1=CC(C)CC(CNCCCCCCO)C1.
What is the InChIKey of 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol?
The InChIKey is INHTWHBLFBAFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13-9-14(2)11-15(10-13)12-16-7-5-3-4-6-8-17/h9,13,15-17H,3-8,10-12H2,1-2H3.
What are the key properties of 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol?
6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 107849599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).