N-(3-methylbut-2-enylidene)propanimidamide

C8H14N2 — CID 89170047

IUPACN-(3-methylbut-2-enylidene)propanimidamide
SMILES[H]/N=C(CC)/N=C/C=C(C)C
InChIInChI=1S/C8H14N2/c1-4-8(9)10-6-5-7(2)3/h5-6,9H,4H2,1-3H3/b9-8+,10-6+
InChIKeyWUXJKJBXJLXVBV-JSAGYHNASA-N
MW138.21 g/mol
LogP2.41
Rot. Bonds2

About N-(3-methylbut-2-enylidene)propanimidamide

N-(3-methylbut-2-enylidene)propanimidamide (PubChem CID 89170047) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(3-methylbut-2-enylidene)propanimidamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enylidene)propanimidamide
PubChem CID89170047
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(3-methylbut-2-enylidene)propanimidamide
SMILES[H]/N=C(CC)/N=C/C=C(C)C
InChIInChI=1S/C8H14N2/c1-4-8(9)10-6-5-7(2)3/h5-6,9H,4H2,1-3H3/b9-8+,10-6+
InChIKeyWUXJKJBXJLXVBV-JSAGYHNASA-N
XLogP2.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.41
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enylidene)propanimidamide?
The IUPAC name of N-(3-methylbut-2-enylidene)propanimidamide (CID 89170047) is N-(3-methylbut-2-enylidene)propanimidamide.
What is the SMILES notation for N-(3-methylbut-2-enylidene)propanimidamide?
The canonical SMILES for N-(3-methylbut-2-enylidene)propanimidamide is [H]/N=C(CC)/N=C/C=C(C)C.
What is the InChIKey of N-(3-methylbut-2-enylidene)propanimidamide?
The InChIKey is WUXJKJBXJLXVBV-JSAGYHNASA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(9)10-6-5-7(2)3/h5-6,9H,4H2,1-3H3/b9-8+,10-6+.
What are the key properties of N-(3-methylbut-2-enylidene)propanimidamide?
N-(3-methylbut-2-enylidene)propanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enylidene)propanimidamide is sourced from PubChem (CID 89170047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).