1-[(hept-6-enylamino)methyl]cycloheptan-1-ol

C15H29NO — CID 107006904

IUPAC1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
SMILESC=CCCCCCNCC1(O)CCCCCC1
InChIInChI=1S/C15H29NO/c1-2-3-4-7-10-13-16-14-15(17)11-8-5-6-9-12-15/h2,16-17H,1,3-14H2
InChIKeyFDRKIFNMBAIUFP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.41
Rot. Bonds8

About 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol

1-[(hept-6-enylamino)methyl]cycloheptan-1-ol (PubChem CID 107006904) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
PubChem CID107006904
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
SMILESC=CCCCCCNCC1(O)CCCCCC1
InChIInChI=1S/C15H29NO/c1-2-3-4-7-10-13-16-14-15(17)11-8-5-6-9-12-15/h2,16-17H,1,3-14H2
InChIKeyFDRKIFNMBAIUFP-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 107006902
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
[1-(hept-6-enylamino)cyclohexyl]methanol
CID 107006791
4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
N-[(2-methylthiolan-2-yl)methyl]hept-6-en-1-amine
CID 107006980
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357

Frequently Asked Questions

What is the IUPAC name of 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol (CID 107006904) is 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol is C=CCCCCCNCC1(O)CCCCCC1.
What is the InChIKey of 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol?
The InChIKey is FDRKIFNMBAIUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-4-7-10-13-16-14-15(17)11-8-5-6-9-12-15/h2,16-17H,1,3-14H2.
What are the key properties of 1-[(hept-6-enylamino)methyl]cycloheptan-1-ol?
1-[(hept-6-enylamino)methyl]cycloheptan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.41, 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]cycloheptan-1-ol is sourced from PubChem (CID 107006904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).