2,4,5-tris(ethenyl)cycloheptan-1-amine

C13H21N — CID 123552127

IUPAC2,4,5-tris(ethenyl)cycloheptan-1-amine
SMILESC=CC1CC(C=C)C(C=C)CCC1N
InChIInChI=1S/C13H21N/c1-4-10-7-8-13(14)12(6-3)9-11(10)5-2/h4-6,10-13H,1-3,7-9,14H2
InChIKeyQVKLIGDCRANBOX-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.90
Rot. Bonds3

About 2,4,5-tris(ethenyl)cycloheptan-1-amine

2,4,5-tris(ethenyl)cycloheptan-1-amine (PubChem CID 123552127) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,4,5-tris(ethenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2,4,5-tris(ethenyl)cycloheptan-1-amine
PubChem CID123552127
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,4,5-tris(ethenyl)cycloheptan-1-amine
SMILESC=CC1CC(C=C)C(C=C)CCC1N
InChIInChI=1S/C13H21N/c1-4-10-7-8-13(14)12(6-3)9-11(10)5-2/h4-6,10-13H,1-3,7-9,14H2
InChIKeyQVKLIGDCRANBOX-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4,5-tris(ethenyl)cycloheptan-1-amine 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

2-ethenylcyclobutan-1-amine
CID 147610634
2,4-bis(ethenyl)bicyclo[3.1.0]hexane
CID 157434965
1,2,4-tris(ethenyl)-5-methylcyclohexane
CID 91133944
3-ethenyl-1-methylpiperidin-4-amine
CID 135130712
cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 142004617
1,2-bis(ethenyl)cyclohexane;ethane
CID 144683720
cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
CID 12721336
[(2R,4S)-4-amino-2-ethenylcyclopentyl]methanol
CID 155129113
1,4-bis(ethenyl)-2-ethylcyclohexane
CID 142317561
1-cyclopropyl-2-ethenylcyclobutane
CID 549304
2-vinylcyclopropyl silane
CID 154724301
2-ethenylcyclopropan-1-ol
CID 54500145

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(ethenyl)cycloheptan-1-amine?
The IUPAC name of 2,4,5-tris(ethenyl)cycloheptan-1-amine (CID 123552127) is 2,4,5-tris(ethenyl)cycloheptan-1-amine.
What is the SMILES notation for 2,4,5-tris(ethenyl)cycloheptan-1-amine?
The canonical SMILES for 2,4,5-tris(ethenyl)cycloheptan-1-amine is C=CC1CC(C=C)C(C=C)CCC1N.
What is the InChIKey of 2,4,5-tris(ethenyl)cycloheptan-1-amine?
The InChIKey is QVKLIGDCRANBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-10-7-8-13(14)12(6-3)9-11(10)5-2/h4-6,10-13H,1-3,7-9,14H2.
What are the key properties of 2,4,5-tris(ethenyl)cycloheptan-1-amine?
2,4,5-tris(ethenyl)cycloheptan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(ethenyl)cycloheptan-1-amine is sourced from PubChem (CID 123552127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).