(Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine

C9H16N2 — CID 163980315

IUPAC(Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine
SMILESC=NC/C=C(\C=C/C)CNC
InChIInChI=1S/C9H16N2/c1-4-5-9(8-11-3)6-7-10-2/h4-6,11H,2,7-8H2,1,3H3/b5-4-,9-6+
InChIKeySXUINORILMTSFI-KMOPYBJPSA-N
MW152.24 g/mol
LogP1.41
Rot. Bonds5

About (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine

(Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine (PubChem CID 163980315) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine
PubChem CID163980315
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine
SMILESC=NC/C=C(\C=C/C)CNC
InChIInChI=1S/C9H16N2/c1-4-5-9(8-11-3)6-7-10-2/h4-6,11H,2,7-8H2,1,3H3/b5-4-,9-6+
InChIKeySXUINORILMTSFI-KMOPYBJPSA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-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

Related Compounds

(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
CID 139250146
(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
CID 139250147
(E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine
CID 142956656
(2E,4Z)-N-methyl-6-(methylideneamino)-3-(trifluoromethyl)hexa-2,4-dien-1-amine
CID 144356904
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
CID 59893816
N-[(2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 72589881
N,6-dimethylhepta-3,5-dien-1-amine
CID 79592031
(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 87199513
(2E,3Z)-2-ethylidene-N,5-dimethylhexa-3,5-dien-1-amine
CID 88222056
(2E,3Z)-2-ethylidene-N-methylhexa-3,5-dien-1-amine
CID 88223558
(E)-N-methyl-2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine
CID 88223688

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine?
The IUPAC name of (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine (CID 163980315) is (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine?
The canonical SMILES for (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine is C=NC/C=C(\C=C/C)CNC.
What is the InChIKey of (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine?
The InChIKey is SXUINORILMTSFI-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-9(8-11-3)6-7-10-2/h4-6,11H,2,7-8H2,1,3H3/b5-4-,9-6+.
What are the key properties of (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine?
(Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-methyl-2-[2-(methylideneamino)ethylidene]pent-3-en-1-amine is sourced from PubChem (CID 163980315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).