N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide

C9H14N2 — CID 138643577

IUPACN'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide
SMILESC=C(C)C=C=N/C(CC)=N/C
InChIInChI=1S/C9H14N2/c1-5-9(10-4)11-7-6-8(2)3/h6H,2,5H2,1,3-4H3/b10-9+
InChIKeySMUIJFPRDBNNEP-MDZDMXLPSA-N
MW150.22 g/mol
LogP2.23
Rot. Bonds2

About N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide

N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide (PubChem CID 138643577) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide
PubChem CID138643577
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide
SMILESC=C(C)C=C=N/C(CC)=N/C
InChIInChI=1S/C9H14N2/c1-5-9(10-4)11-7-6-8(2)3/h6H,2,5H2,1,3-4H3/b10-9+
InChIKeySMUIJFPRDBNNEP-MDZDMXLPSA-N
XLogP2.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.23
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

2,5-Dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 123929868
2,5-Diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 126694318

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide?
The IUPAC name of N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide (CID 138643577) is N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide is C=C(C)C=C=N/C(CC)=N/C.
What is the InChIKey of N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide?
The InChIKey is SMUIJFPRDBNNEP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-9(10-4)11-7-6-8(2)3/h6H,2,5H2,1,3-4H3/b10-9+.
What are the key properties of N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide?
N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide is sourced from PubChem (CID 138643577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).