(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine

C10H19N3 — CID 142474588

IUPAC(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine
SMILESCN(N)/C1=C(\N)CCC2CC2CC1
InChIInChI=1S/C10H19N3/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11/h7-8H,2-6,11-12H2,1H3/b10-9-
InChIKeyCSNAJTVOVSVKBD-KTKRTIGZSA-N
MW181.28 g/mol
LogP1.17
Rot. Bonds1

About (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine

(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine (PubChem CID 142474588) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine.

Molecular Properties

Compound Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine
PubChem CID142474588
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine
SMILESCN(N)/C1=C(\N)CCC2CC2CC1
InChIInChI=1S/C10H19N3/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11/h7-8H,2-6,11-12H2,1H3/b10-9-
InChIKeyCSNAJTVOVSVKBD-KTKRTIGZSA-N
XLogP1.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.17
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'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine (CID 142474588) is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine.
What is the SMILES notation for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The canonical SMILES for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine is CN(N)/C1=C(\N)CCC2CC2CC1.
What is the InChIKey of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The InChIKey is CSNAJTVOVSVKBD-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H19N3/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11/h7-8H,2-6,11-12H2,1H3/b10-9-.
What are the key properties of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine?
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine has a molecular weight of 181.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine is sourced from PubChem (CID 142474588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).