(Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine

C12H22N2 — CID 143367191

IUPAC(Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine
SMILESC=C(C)C(C)NCC(/C=C\C)=N/CC
InChIInChI=1S/C12H22N2/c1-6-8-12(13-7-2)9-14-11(5)10(3)4/h6,8,11,14H,3,7,9H2,1-2,4-5H3/b8-6-,13-12+
InChIKeyYMLFDPWONGRRGM-XXKCFVJZSA-N
MW194.32 g/mol
LogP2.58
Rot. Bonds6

About (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine

(Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine (PubChem CID 143367191) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine
PubChem CID143367191
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine
SMILESC=C(C)C(C)NCC(/C=C\C)=N/CC
InChIInChI=1S/C12H22N2/c1-6-8-12(13-7-2)9-14-11(5)10(3)4/h6,8,11,14H,3,7,9H2,1-2,4-5H3/b8-6-,13-12+
InChIKeyYMLFDPWONGRRGM-XXKCFVJZSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.58
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'}

Analyze (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine (CID 143367191) is (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine is C=C(C)C(C)NCC(/C=C\C)=N/CC.
What is the InChIKey of (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine?
The InChIKey is YMLFDPWONGRRGM-XXKCFVJZSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-8-12(13-7-2)9-14-11(5)10(3)4/h6,8,11,14H,3,7,9H2,1-2,4-5H3/b8-6-,13-12+.
What are the key properties of (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine?
(Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylimino-N-(3-methylbut-3-en-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 143367191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).