(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine

C10H18N2 — CID 123331055

IUPAC(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine
SMILESC/C=C(\C=N\C(=C\N)CC)CC
InChIInChI=1S/C10H18N2/c1-4-9(5-2)8-12-10(6-3)7-11/h4,7-8H,5-6,11H2,1-3H3/b9-4-,10-7+,12-8+
InChIKeyDQEKXVYKQHYMGH-HILPFBMQSA-N
MW166.27 g/mol
LogP2.62
Rot. Bonds4

About (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine

(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine (PubChem CID 123331055) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine
PubChem CID123331055
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine
SMILESC/C=C(\C=N\C(=C\N)CC)CC
InChIInChI=1S/C10H18N2/c1-4-9(5-2)8-12-10(6-3)7-11/h4,7-8H,5-6,11H2,1-3H3/b9-4-,10-7+,12-8+
InChIKeyDQEKXVYKQHYMGH-HILPFBMQSA-N
XLogP2.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]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

Related Compounds

(Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine
CID 135280378
(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
CID 144598444
N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 71389613
(Z)-2-(ethylideneamino)hex-1-en-1-amine
CID 90227550
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide
CID 123353034
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-N-methylpropanamide
CID 149404415
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine
CID 89034156
(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol
CID 176975575
(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine
CID 144636958
tert-butyl acetate;ethane;(Z)-2-ethyl-N-methylbut-2-en-1-imine
CID 145026020

Frequently Asked Questions

What is the IUPAC name of (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine?
The IUPAC name of (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine (CID 123331055) is (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine.
What is the SMILES notation for (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine?
The canonical SMILES for (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine is C/C=C(\C=N\C(=C\N)CC)CC.
What is the InChIKey of (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine?
The InChIKey is DQEKXVYKQHYMGH-HILPFBMQSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9(5-2)8-12-10(6-3)7-11/h4,7-8H,5-6,11H2,1-3H3/b9-4-,10-7+,12-8+.
What are the key properties of (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine?
(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine is sourced from PubChem (CID 123331055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).