1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine

C11H20N2 — CID 123740899

IUPAC1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine
SMILESCC=C(C)C(C)/N=C(\C)C1NC1C
InChIInChI=1S/C11H20N2/c1-6-7(2)8(3)12-9(4)11-10(5)13-11/h6,8,10-11,13H,1-5H3/b7-6?,12-9+
InChIKeyRIZXSENQWKZKBB-VVQZTGQSSA-N
MW180.29 g/mol
LogP2.16
Rot. Bonds3

About 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine

1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine (PubChem CID 123740899) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine.

Molecular Properties

Compound Name1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine
PubChem CID123740899
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine
SMILESCC=C(C)C(C)/N=C(\C)C1NC1C
InChIInChI=1S/C11H20N2/c1-6-7(2)8(3)12-9(4)11-10(5)13-11/h6,8,10-11,13H,1-5H3/b7-6?,12-9+
InChIKeyRIZXSENQWKZKBB-VVQZTGQSSA-N
XLogP2.16
TPSA34.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine 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

N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine
CID 129255826
N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine
CID 130217424
(2Z,5Z)-6-methyl-7-methylimino-N-propylnona-2,5-dien-4-amine
CID 169607467
(Z)-N,3-diethyl-2-methyliminopent-3-en-1-amine
CID 169648011
(Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine
CID 174270836
(Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine
CID 143367191
(Z)-N-butyl-3-methyl-2-methyliminohept-3-en-1-amine
CID 178759442

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine?
The IUPAC name of 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine (CID 123740899) is 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine.
What is the SMILES notation for 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine?
The canonical SMILES for 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine is CC=C(C)C(C)/N=C(\C)C1NC1C.
What is the InChIKey of 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine?
The InChIKey is RIZXSENQWKZKBB-VVQZTGQSSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7(2)8(3)12-9(4)11-10(5)13-11/h6,8,10-11,13H,1-5H3/b7-6?,12-9+.
What are the key properties of 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine?
1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine has a molecular weight of 180.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylaziridin-2-yl)-N-(3-methylpent-3-en-2-yl)ethanimine is sourced from PubChem (CID 123740899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).