(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine

C12H23N3 — CID 155152278

IUPAC(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine
SMILESCC(C)N(N)/C1=C(\N)CCC2CC2CC1
InChIInChI=1S/C12H23N3/c1-8(2)15(14)12-6-4-10-7-9(10)3-5-11(12)13/h8-10H,3-7,13-14H2,1-2H3/b12-11-
InChIKeyRSNFLMHMXDPFMG-QXMHVHEDSA-N
MW209.34 g/mol
LogP1.95
Rot. Bonds2

About (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine

(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine (PubChem CID 155152278) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine.

Molecular Properties

Compound Name(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine
PubChem CID155152278
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine
SMILESCC(C)N(N)/C1=C(\N)CCC2CC2CC1
InChIInChI=1S/C12H23N3/c1-8(2)15(14)12-6-4-10-7-9(10)3-5-11(12)13/h8-10H,3-7,13-14H2,1-2H3/b12-11-
InChIKeyRSNFLMHMXDPFMG-QXMHVHEDSA-N
XLogP1.95
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
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 (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-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 (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The IUPAC name of (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine (CID 155152278) is (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine.
What is the SMILES notation for (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The canonical SMILES for (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine is CC(C)N(N)/C1=C(\N)CCC2CC2CC1.
What is the InChIKey of (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The InChIKey is RSNFLMHMXDPFMG-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H23N3/c1-8(2)15(14)12-6-4-10-7-9(10)3-5-11(12)13/h8-10H,3-7,13-14H2,1-2H3/b12-11-.
What are the key properties of (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine?
(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine has a molecular weight of 209.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine is sourced from PubChem (CID 155152278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).