1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol

C16H31NO — CID 107006902

IUPAC1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESC=CCCCCCNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C16H31NO/c1-4-5-6-7-8-13-17-14-16(18)11-9-15(2,3)10-12-16/h4,17-18H,1,5-14H2,2-3H3
InChIKeyJSDVQGCXFRCAAK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.65
Rot. Bonds8

About 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol

1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 107006902) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID107006902
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESC=CCCCCCNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C16H31NO/c1-4-5-6-7-8-13-17-14-16(18)11-9-15(2,3)10-12-16/h4,17-18H,1,5-14H2,2-3H3
InChIKeyJSDVQGCXFRCAAK-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.65
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

1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
CID 107006904
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852
N-[(2-methylthiolan-2-yl)methyl]hept-6-en-1-amine
CID 107006980
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide
CID 65119283
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide
CID 77056852
4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
CID 65087135
N-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189
N-hept-6-enyl-1-methylcyclopentan-1-amine
CID 107006665
N-propylnon-8-en-1-amine
CID 107010151
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
1-[(2-aminoethylamino)methyl]cyclopropan-1-ol
CID 84648106

Frequently Asked Questions

What is the IUPAC name of 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol (CID 107006902) is 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol is C=CCCCCCNCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is JSDVQGCXFRCAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-5-6-7-8-13-17-14-16(18)11-9-15(2,3)10-12-16/h4,17-18H,1,5-14H2,2-3H3.
What are the key properties of 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 107006902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).