(E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide

C13H21N3 — CID 155015118

IUPAC(E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide
SMILESC=C(C)/N=C(\N)C(C(=CC)C(=C)N)=C(C)C
InChIInChI=1S/C13H21N3/c1-7-11(10(6)14)12(8(2)3)13(15)16-9(4)5/h7H,4,6,14H2,1-3,5H3,(H2,15,16)/b11-7-
InChIKeyIQCCRLYZPWLIMR-XFFZJAGNSA-N
MW219.33 g/mol
LogP2.63
Rot. Bonds4

About (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide

(E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide (PubChem CID 155015118) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide.

Molecular Properties

Compound Name(E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide
PubChem CID155015118
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide
SMILESC=C(C)/N=C(\N)C(C(=CC)C(=C)N)=C(C)C
InChIInChI=1S/C13H21N3/c1-7-11(10(6)14)12(8(2)3)13(15)16-9(4)5/h7H,4,6,14H2,1-3,5H3,(H2,15,16)/b11-7-
InChIKeyIQCCRLYZPWLIMR-XFFZJAGNSA-N
XLogP2.63
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide 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 (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide?
The IUPAC name of (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide (CID 155015118) is (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide.
What is the SMILES notation for (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide?
The canonical SMILES for (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide is C=C(C)/N=C(\N)C(C(=CC)C(=C)N)=C(C)C.
What is the InChIKey of (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide?
The InChIKey is IQCCRLYZPWLIMR-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H21N3/c1-7-11(10(6)14)12(8(2)3)13(15)16-9(4)5/h7H,4,6,14H2,1-3,5H3,(H2,15,16)/b11-7-.
What are the key properties of (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide?
(E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide has a molecular weight of 219.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide is sourced from PubChem (CID 155015118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).