2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine

C11H23N3 — CID 139470185

IUPAC2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine
SMILESCCC1CCCCC(N(N)CC)=C1N
InChIInChI=1S/C11H23N3/c1-3-9-7-5-6-8-10(11(9)12)14(13)4-2/h9H,3-8,12-13H2,1-2H3
InChIKeyJHDVNAQXHQKDDA-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.95
Rot. Bonds3

About 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine

2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine (PubChem CID 139470185) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine.

Molecular Properties

Compound Name2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine
PubChem CID139470185
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine
SMILESCCC1CCCCC(N(N)CC)=C1N
InChIInChI=1S/C11H23N3/c1-3-9-7-5-6-8-10(11(9)12)14(13)4-2/h9H,3-8,12-13H2,1-2H3
InChIKeyJHDVNAQXHQKDDA-UHFFFAOYSA-N
XLogP1.95
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[amino(ethyl)amino]-7-ethylcyclohepten-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

Frequently Asked Questions

What is the IUPAC name of 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine?
The IUPAC name of 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine (CID 139470185) is 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine.
What is the SMILES notation for 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine?
The canonical SMILES for 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine is CCC1CCCCC(N(N)CC)=C1N.
What is the InChIKey of 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine?
The InChIKey is JHDVNAQXHQKDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-9-7-5-6-8-10(11(9)12)14(13)4-2/h9H,3-8,12-13H2,1-2H3.
What are the key properties of 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine?
2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine has a molecular weight of 197.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(ethyl)amino]-7-ethylcyclohepten-1-amine is sourced from PubChem (CID 139470185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).