5-methyliminopent-1-en-3-amine

C6H12N2 — CID 143835644

IUPAC5-methyliminopent-1-en-3-amine
SMILESC=CC(N)C/C=N/C
InChIInChI=1S/C6H12N2/c1-3-6(7)4-5-8-2/h3,5-6H,1,4,7H2,2H3/b8-5+
InChIKeyFXUOEFJJBZWVDE-VMPITWQZSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds3

About 5-methyliminopent-1-en-3-amine

5-methyliminopent-1-en-3-amine (PubChem CID 143835644) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 5-methyliminopent-1-en-3-amine.

Molecular Properties

Compound Name5-methyliminopent-1-en-3-amine
PubChem CID143835644
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name5-methyliminopent-1-en-3-amine
SMILESC=CC(N)C/C=N/C
InChIInChI=1S/C6H12N2/c1-3-6(7)4-5-8-2/h3,5-6H,1,4,7H2,2H3/b8-5+
InChIKeyFXUOEFJJBZWVDE-VMPITWQZSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dihydropyridin-4-amine
CID 53872884
3,4-Dihydropyridine-3,4-diamine
CID 89933075
5-Iminopent-1-en-3-amine
CID 91588236
N'-but-3-en-2-ylethane-1,2-diimine
CID 118123151
1-(1-Aminoprop-2-enylimino)propan-2-amine
CID 123609442
1-(Ethylideneamino)pent-1-en-3-amine
CID 123675713
6-Methyliminohex-2-en-1-amine
CID 123732613
5-Pent-4-en-2-yliminopentan-1-amine
CID 123770418
(3S)-2-(2-aminopropylideneamino)penta-1,4-dien-3-amine
CID 137452299
1-N-ethylpent-4-ene-1,2-diimine
CID 138636708
6-Iminohex-3-en-2-amine
CID 138659587
3,4-Dihydropyridin-3-amine
CID 141536129

Frequently Asked Questions

What is the IUPAC name of 5-methyliminopent-1-en-3-amine?
The IUPAC name of 5-methyliminopent-1-en-3-amine (CID 143835644) is 5-methyliminopent-1-en-3-amine.
What is the SMILES notation for 5-methyliminopent-1-en-3-amine?
The canonical SMILES for 5-methyliminopent-1-en-3-amine is C=CC(N)C/C=N/C.
What is the InChIKey of 5-methyliminopent-1-en-3-amine?
The InChIKey is FXUOEFJJBZWVDE-VMPITWQZSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(7)4-5-8-2/h3,5-6H,1,4,7H2,2H3/b8-5+.
What are the key properties of 5-methyliminopent-1-en-3-amine?
5-methyliminopent-1-en-3-amine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyliminopent-1-en-3-amine is sourced from PubChem (CID 143835644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).