2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine

C8H16N2 — CID 153146948

IUPAC2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
SMILESC/N=C(\C)C(=CN)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(5-9)7(3)10-4/h5-6H,9H2,1-4H3/b8-5?,10-7+
InChIKeyMHSINBYNWSIYII-NOFHWXGASA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds2

About 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine

2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine (PubChem CID 153146948) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
PubChem CID153146948
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
SMILESC/N=C(\C)C(=CN)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(5-9)7(3)10-4/h5-6H,9H2,1-4H3/b8-5?,10-7+
InChIKeyMHSINBYNWSIYII-NOFHWXGASA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine?
The IUPAC name of 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine (CID 153146948) is 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine.
What is the SMILES notation for 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine?
The canonical SMILES for 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine is C/N=C(\C)C(=CN)C(C)C.
What is the InChIKey of 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine?
The InChIKey is MHSINBYNWSIYII-NOFHWXGASA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8(5-9)7(3)10-4/h5-6H,9H2,1-4H3/b8-5?,10-7+.
What are the key properties of 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine?
2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine is sourced from PubChem (CID 153146948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).