1-(ethylideneamino)pent-1-en-3-amine

C7H14N2 — CID 123675713

IUPAC1-(ethylideneamino)pent-1-en-3-amine
SMILESC/C=N/C=CC(N)CC
InChIInChI=1S/C7H14N2/c1-3-7(8)5-6-9-4-2/h4-7H,3,8H2,1-2H3/b6-5?,9-4+
InChIKeyZVMJKXZPQFRFBZ-WDQBVCECSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds3

About 1-(ethylideneamino)pent-1-en-3-amine

1-(ethylideneamino)pent-1-en-3-amine (PubChem CID 123675713) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(ethylideneamino)pent-1-en-3-amine.

Molecular Properties

Compound Name1-(ethylideneamino)pent-1-en-3-amine
PubChem CID123675713
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-(ethylideneamino)pent-1-en-3-amine
SMILESC/C=N/C=CC(N)CC
InChIInChI=1S/C7H14N2/c1-3-7(8)5-6-9-4-2/h4-7H,3,8H2,1-2H3/b6-5?,9-4+
InChIKeyZVMJKXZPQFRFBZ-WDQBVCECSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpyridine-3,4-diamine
CID 68823065
3,4-Dihydropyridin-4-amine
CID 53872884
3H-pyrrol-3-amine
CID 55284676
2-methyl-3H-pyrrol-3-amine
CID 67580042
(Z)-3-but-1-en-2-yliminoprop-1-en-1-amine
CID 88268688
(Z)-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 88594373
(E)-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 88976713
(E)-4-(ethylideneamino)but-3-en-1-amine
CID 89257831
5-methyl-5H-1,4-diazepine
CID 89283775
N'-[(Z)-but-1-enyl]ethane-1,2-diimine
CID 89425018
(Z)-4-(ethylideneamino)but-3-en-1-amine
CID 89468696
(Z)-2-(ethylideneamino)but-1-ene-1,3-diamine
CID 89634382

Frequently Asked Questions

What is the IUPAC name of 1-(ethylideneamino)pent-1-en-3-amine?
The IUPAC name of 1-(ethylideneamino)pent-1-en-3-amine (CID 123675713) is 1-(ethylideneamino)pent-1-en-3-amine.
What is the SMILES notation for 1-(ethylideneamino)pent-1-en-3-amine?
The canonical SMILES for 1-(ethylideneamino)pent-1-en-3-amine is C/C=N/C=CC(N)CC.
What is the InChIKey of 1-(ethylideneamino)pent-1-en-3-amine?
The InChIKey is ZVMJKXZPQFRFBZ-WDQBVCECSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-7(8)5-6-9-4-2/h4-7H,3,8H2,1-2H3/b6-5?,9-4+.
What are the key properties of 1-(ethylideneamino)pent-1-en-3-amine?
1-(ethylideneamino)pent-1-en-3-amine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)pent-1-en-3-amine is sourced from PubChem (CID 123675713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).