5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine

C11H23N3 — CID 91485238

IUPAC5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine
SMILESCC(C)(N)CC=C/N=C/CC(C)(C)N
InChIInChI=1S/C11H23N3/c1-10(2,12)6-5-8-14-9-7-11(3,4)13/h5,8-9H,6-7,12-13H2,1-4H3/b8-5?,14-9+
InChIKeyHYFXFBWIPDCQEW-WRPGCLPZSA-N
MW197.33 g/mol
LogP1.83
Rot. Bonds5

About 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine

5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine (PubChem CID 91485238) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine.

Molecular Properties

Compound Name5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine
PubChem CID91485238
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine
SMILESCC(C)(N)CC=C/N=C/CC(C)(C)N
InChIInChI=1S/C11H23N3/c1-10(2,12)6-5-8-14-9-7-11(3,4)13/h5,8-9H,6-7,12-13H2,1-4H3/b8-5?,14-9+
InChIKeyHYFXFBWIPDCQEW-WRPGCLPZSA-N
XLogP1.83
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-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 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine?
The IUPAC name of 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine (CID 91485238) is 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine.
What is the SMILES notation for 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine?
The canonical SMILES for 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine is CC(C)(N)CC=C/N=C/CC(C)(C)N.
What is the InChIKey of 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine?
The InChIKey is HYFXFBWIPDCQEW-WRPGCLPZSA-N. The full InChI is InChI=1S/C11H23N3/c1-10(2,12)6-5-8-14-9-7-11(3,4)13/h5,8-9H,6-7,12-13H2,1-4H3/b8-5?,14-9+.
What are the key properties of 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine?
5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine has a molecular weight of 197.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-3-methylbutylidene)amino]-2-methylpent-4-en-2-amine is sourced from PubChem (CID 91485238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).