(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine

C9H16N2 — CID 89286529

IUPAC(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine
SMILESC=C(/C=N/C(=C\N)CC)CC
InChIInChI=1S/C9H16N2/c1-4-8(3)7-11-9(5-2)6-10/h6-7H,3-5,10H2,1-2H3/b9-6-,11-7+
InChIKeyIMTTVBYWLOSNKH-STGKXFFCSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds4

About (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine

(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine (PubChem CID 89286529) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine
PubChem CID89286529
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine
SMILESC=C(/C=N/C(=C\N)CC)CC
InChIInChI=1S/C9H16N2/c1-4-8(3)7-11-9(5-2)6-10/h6-7H,3-5,10H2,1-2H3/b9-6-,11-7+
InChIKeyIMTTVBYWLOSNKH-STGKXFFCSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-(2-methylidenebutylideneamino)but-1-en-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 (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine (CID 89286529) is (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine is C=C(/C=N/C(=C\N)CC)CC.
What is the InChIKey of (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine?
The InChIKey is IMTTVBYWLOSNKH-STGKXFFCSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(3)7-11-9(5-2)6-10/h6-7H,3-5,10H2,1-2H3/b9-6-,11-7+.
What are the key properties of (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine?
(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine is sourced from PubChem (CID 89286529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).