N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide

C7H12N2 — CID 142816451

IUPACN-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide
SMILESC=CC(=C)N(C)/C=N/C
InChIInChI=1S/C7H12N2/c1-5-7(2)9(4)6-8-3/h5-6H,1-2H2,3-4H3/b8-6+
InChIKeyYPETUJKLQMWNOY-SOFGYWHQSA-N
MW124.19 g/mol
LogP1.28
Rot. Bonds3

About N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide

N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide (PubChem CID 142816451) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide
PubChem CID142816451
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide
SMILESC=CC(=C)N(C)/C=N/C
InChIInChI=1S/C7H12N2/c1-5-7(2)9(4)6-8-3/h5-6H,1-2H2,3-4H3/b8-6+
InChIKeyYPETUJKLQMWNOY-SOFGYWHQSA-N
XLogP1.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
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'}

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Related Compounds

N,N-dimethyl-N'-prop-1-en-2-ylmethanimidamide
CID 12222069
3-Methyl-3,4-dihydropyrimidine
CID 19788969
1-Methyl-6-methylidene-1,6-dihydropyrimidine
CID 57831095
1-Methyl-1-prop-2-enylimidazol-1-ium
CID 23042760
3,3-dimethyl-4H-pyrimidin-3-ium
CID 53636451
3,6-dimethyl-4H-pyrimidine
CID 53983488
1-Methyl-4-methylidenepyrimidine
CID 57672168
1-Ethyl-4-methylidenepyrimidine
CID 57672220
1-Tert-butyl-4-methylidenepyrimidine
CID 59212616
(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonine
CID 68215782
N'-amino-N-buta-1,3-dien-2-yl-N-methylmethanimidamide
CID 88539329
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide?
The IUPAC name of N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide (CID 142816451) is N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide is C=CC(=C)N(C)/C=N/C.
What is the InChIKey of N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide?
The InChIKey is YPETUJKLQMWNOY-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-7(2)9(4)6-8-3/h5-6H,1-2H2,3-4H3/b8-6+.
What are the key properties of N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide?
N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 142816451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).