N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide

C6H10N2 — CID 123139579

IUPACN'-(3-methylbuta-1,3-dien-2-yl)methanimidamide
SMILESC=C(C)C(=C)/N=C/N
InChIInChI=1S/C6H10N2/c1-5(2)6(3)8-4-7/h4H,1,3H2,2H3,(H2,7,8)
InChIKeyARMAGRGZYIMPQX-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide

N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide (PubChem CID 123139579) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-(3-methylbuta-1,3-dien-2-yl)methanimidamide
PubChem CID123139579
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-(3-methylbuta-1,3-dien-2-yl)methanimidamide
SMILESC=C(C)C(=C)/N=C/N
InChIInChI=1S/C6H10N2/c1-5(2)6(3)8-4-7/h4H,1,3H2,2H3,(H2,7,8)
InChIKeyARMAGRGZYIMPQX-UHFFFAOYSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide 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'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
N'-[(E)-4-amino-3-methylbut-3-en-2-yl]methanimidamide
CID 90453473
N'-pent-1-en-2-ylmethanimidamide
CID 141885972
(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 142885975
N'-but-1-en-2-ylmethanimidamide
CID 143063401
(1Z)-3-methyl-2-(methylideneamino)buta-1,3-dien-1-amine
CID 144211799
N'-(3-methylbuta-1,3-dien-2-yl)-N-methylidenecarbamimidoyl chloride
CID 144374391
N'-(3-methylbut-1-en-2-yl)methanimidamide
CID 144671964
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide
CID 144711369
methane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 144859797
(1E)-3-methyl-1-(methylideneamino)buta-1,3-diene-1,2-diamine
CID 145061514
N'-[(2E)-3-amino-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 146660684

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide?
The IUPAC name of N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide (CID 123139579) is N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide.
What is the SMILES notation for N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide?
The canonical SMILES for N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide is C=C(C)C(=C)/N=C/N.
What is the InChIKey of N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide?
The InChIKey is ARMAGRGZYIMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6(3)8-4-7/h4H,1,3H2,2H3,(H2,7,8).
What are the key properties of N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide?
N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide is sourced from PubChem (CID 123139579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).