4-imino-N-methylpent-1-en-2-amine

C6H12N2 — CID 145467162

IUPAC4-imino-N-methylpent-1-en-2-amine
SMILES[H]/N=C(\C)CC(=C)NC
InChIInChI=1S/C6H12N2/c1-5(7)4-6(2)8-3/h7-8H,2,4H2,1,3H3/b7-5+
InChIKeyRVIJTZGMIMIHLR-FNORWQNLSA-N
MW112.18 g/mol
LogP1.15
Rot. Bonds3

About 4-imino-N-methylpent-1-en-2-amine

4-imino-N-methylpent-1-en-2-amine (PubChem CID 145467162) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-imino-N-methylpent-1-en-2-amine.

Molecular Properties

Compound Name4-imino-N-methylpent-1-en-2-amine
PubChem CID145467162
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-imino-N-methylpent-1-en-2-amine
SMILES[H]/N=C(\C)CC(=C)NC
InChIInChI=1S/C6H12N2/c1-5(7)4-6(2)8-3/h7-8H,2,4H2,1,3H3/b7-5+
InChIKeyRVIJTZGMIMIHLR-FNORWQNLSA-N
XLogP1.15
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-azirin-2-yl)pentan-2-imine
CID 88941573
4-N-methylpent-4-ene-1,4-diamine
CID 142083280
3-imino-N-methylbut-1-en-2-amine
CID 143837548
N-ethyl-5-iminopent-1-en-2-amine
CID 146551391
3-imino-N,N-dimethylpent-1-en-2-amine
CID 166963331
5-N-methylhexa-1,5-diene-2,5-diamine
CID 143719548
N-methyl-1-(5-methyl-2H-imidazol-4-yl)ethenamine
CID 171790998

Frequently Asked Questions

What is the IUPAC name of 4-imino-N-methylpent-1-en-2-amine?
The IUPAC name of 4-imino-N-methylpent-1-en-2-amine (CID 145467162) is 4-imino-N-methylpent-1-en-2-amine.
What is the SMILES notation for 4-imino-N-methylpent-1-en-2-amine?
The canonical SMILES for 4-imino-N-methylpent-1-en-2-amine is [H]/N=C(\C)CC(=C)NC.
What is the InChIKey of 4-imino-N-methylpent-1-en-2-amine?
The InChIKey is RVIJTZGMIMIHLR-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(7)4-6(2)8-3/h7-8H,2,4H2,1,3H3/b7-5+.
What are the key properties of 4-imino-N-methylpent-1-en-2-amine?
4-imino-N-methylpent-1-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N-methylpent-1-en-2-amine is sourced from PubChem (CID 145467162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).