N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide

C6H11N3 — CID 88539329

IUPACN'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide
SMILESC=CC(=C)N(C)/C=N\N
InChIInChI=1S/C6H11N3/c1-4-6(2)9(3)5-8-7/h4-5H,1-2,7H2,3H3/b8-5-
InChIKeyKRGFATRRHRSGMY-YVMONPNESA-N
MW125.17 g/mol
LogP0.52
Rot. Bonds3

About N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide

N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide (PubChem CID 88539329) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide
PubChem CID88539329
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide
SMILESC=CC(=C)N(C)/C=N\N
InChIInChI=1S/C6H11N3/c1-4-6(2)9(3)5-8-7/h4-5H,1-2,7H2,3H3/b8-5-
InChIKeyKRGFATRRHRSGMY-YVMONPNESA-N
XLogP0.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide?
The IUPAC name of N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide (CID 88539329) is N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide.
What is the SMILES notation for N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide?
The canonical SMILES for N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide is C=CC(=C)N(C)/C=N\N.
What is the InChIKey of N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide?
The InChIKey is KRGFATRRHRSGMY-YVMONPNESA-N. The full InChI is InChI=1S/C6H11N3/c1-4-6(2)9(3)5-8-7/h4-5H,1-2,7H2,3H3/b8-5-.
What are the key properties of N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide?
N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide is sourced from PubChem (CID 88539329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).