5-iminopent-2-en-1-amine

C5H10N2 — CID 123203625

IUPAC5-iminopent-2-en-1-amine
SMILES[H]/N=C/CC=CCN
InChIInChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-2,5,7H,3-4,6H2/b2-1?,7-5+
InChIKeyZEDSLLFZGMXOAY-GVDXPMKKSA-N
MW98.15 g/mol
LogP0.54
Rot. Bonds3

About 5-iminopent-2-en-1-amine

5-iminopent-2-en-1-amine (PubChem CID 123203625) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 5-iminopent-2-en-1-amine.

Molecular Properties

Compound Name5-iminopent-2-en-1-amine
PubChem CID123203625
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name5-iminopent-2-en-1-amine
SMILES[H]/N=C/CC=CCN
InChIInChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-2,5,7H,3-4,6H2/b2-1?,7-5+
InChIKeyZEDSLLFZGMXOAY-GVDXPMKKSA-N
XLogP0.54
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
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

Pent-2-ene-1,5-diimine
CID 53718158
Pent-3-en-1-imine
CID 57231252
7-Iminohepta-2,4-dien-1-amine
CID 90718728
7-Iminohept-2-en-1-amine
CID 91081124
Hex-3-en-1-imine
CID 91185928
(Z)-5-iminopent-3-en-1-amine
CID 123325470
6-Methyliminohex-2-en-1-amine
CID 123732613
5-Iminopent-3-en-1-amine
CID 123777766
6-Methylsulfanyliminohex-3-en-1-amine
CID 123996368
(2E,4E)-4-bromo-7-iminohepta-2,4-dien-1-amine
CID 124017628
3,6-dihydro-2H-azepin-3-amine
CID 135243862
6-Iminohex-3-en-2-amine
CID 138659587

Frequently Asked Questions

What is the IUPAC name of 5-iminopent-2-en-1-amine?
The IUPAC name of 5-iminopent-2-en-1-amine (CID 123203625) is 5-iminopent-2-en-1-amine.
What is the SMILES notation for 5-iminopent-2-en-1-amine?
The canonical SMILES for 5-iminopent-2-en-1-amine is [H]/N=C/CC=CCN.
What is the InChIKey of 5-iminopent-2-en-1-amine?
The InChIKey is ZEDSLLFZGMXOAY-GVDXPMKKSA-N. The full InChI is InChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-2,5,7H,3-4,6H2/b2-1?,7-5+.
What are the key properties of 5-iminopent-2-en-1-amine?
5-iminopent-2-en-1-amine has a molecular weight of 98.15 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminopent-2-en-1-amine is sourced from PubChem (CID 123203625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).