6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol

C13H25NO — CID 115908967

IUPAC6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
SMILESOCCCCCCNCC1CC=CCC1
InChIInChI=1S/C13H25NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-4,13-15H,1-2,5-12H2
InChIKeyVHBSBIDLRUVCDN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds8

About 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol

6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol (PubChem CID 115908967) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
PubChem CID115908967
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
SMILESOCCCCCCNCC1CC=CCC1
InChIInChI=1S/C13H25NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-4,13-15H,1-2,5-12H2
InChIKeyVHBSBIDLRUVCDN-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
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'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 43180683
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43081150
5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
CID 107267824
4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
CID 79394924
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide
CID 77030678
2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
CID 83211813
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115572796
6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
CID 107703705
N-(cyclohex-3-en-1-ylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762884

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol?
The IUPAC name of 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol (CID 115908967) is 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol.
What is the SMILES notation for 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol?
The canonical SMILES for 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol is OCCCCCCNCC1CC=CCC1.
What is the InChIKey of 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol?
The InChIKey is VHBSBIDLRUVCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-4,13-15H,1-2,5-12H2.
What are the key properties of 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol?
6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol is sourced from PubChem (CID 115908967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).