(5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine

C10H17N3 — CID 89028273

IUPAC(5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine
SMILESCCC1C(N)=CC=C/C1=C/N(C)N
InChIInChI=1S/C10H17N3/c1-3-9-8(7-13(2)12)5-4-6-10(9)11/h4-7,9H,3,11-12H2,1-2H3/b8-7-
InChIKeyDMQIKPFYIJSUKL-FPLPWBNLSA-N
MW179.27 g/mol
LogP1.11
Rot. Bonds2

About (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine

(5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine (PubChem CID 89028273) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine
PubChem CID89028273
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine
SMILESCCC1C(N)=CC=C/C1=C/N(C)N
InChIInChI=1S/C10H17N3/c1-3-9-8(7-13(2)12)5-4-6-10(9)11/h4-7,9H,3,11-12H2,1-2H3/b8-7-
InChIKeyDMQIKPFYIJSUKL-FPLPWBNLSA-N
XLogP1.11
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.11
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 (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-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 (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine (CID 89028273) is (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine is CCC1C(N)=CC=C/C1=C/N(C)N.
What is the InChIKey of (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine?
The InChIKey is DMQIKPFYIJSUKL-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-9-8(7-13(2)12)5-4-6-10(9)11/h4-7,9H,3,11-12H2,1-2H3/b8-7-.
What are the key properties of (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine?
(5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89028273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).