(E)-pent-1-ene-1,5-diamine

C5H12N2 — CID 87610087

IUPAC(E)-pent-1-ene-1,5-diamine
SMILESN/C=C/CCCN
InChIInChI=1S/C5H12N2/c6-4-2-1-3-5-7/h2,4H,1,3,5-7H2/b4-2+
InChIKeyWJVNZWSIOUQBPB-DUXPYHPUSA-N
MW100.16 g/mol
LogP0.20
Rot. Bonds3

About (E)-pent-1-ene-1,5-diamine

(E)-pent-1-ene-1,5-diamine (PubChem CID 87610087) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (E)-pent-1-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-pent-1-ene-1,5-diamine
PubChem CID87610087
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(E)-pent-1-ene-1,5-diamine
SMILESN/C=C/CCCN
InChIInChI=1S/C5H12N2/c6-4-2-1-3-5-7/h2,4H,1,3,5-7H2/b4-2+
InChIKeyWJVNZWSIOUQBPB-DUXPYHPUSA-N
XLogP0.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-dec-1-ene-1,10-diamine
CID 87528471
tetradec-7-ene-1,14-diamine
CID 91430908
7-aminohept-3-enylazanium
CID 163603565
hept-1-en-1-amine
CID 73447107
5-aminopent-1-ene-1-sulfinate
CID 163645837
(E)-dec-1-en-1-amine
CID 21420709
(1Z)-nona-1,8-dien-1-amine
CID 149197195
(Z)-10-aminodec-5-en-1-ol
CID 10910016
hexadec-4-en-1-amine
CID 123939288
(E)-6-aminohex-5-ene-1,1-diol
CID 163840994
(Z)-6,6-dimethylhept-1-en-1-amine
CID 89037206
(E)-6-trimethylsilylhex-4-en-1-amine
CID 13434271

Frequently Asked Questions

What is the IUPAC name of (E)-pent-1-ene-1,5-diamine?
The IUPAC name of (E)-pent-1-ene-1,5-diamine (CID 87610087) is (E)-pent-1-ene-1,5-diamine.
What is the SMILES notation for (E)-pent-1-ene-1,5-diamine?
The canonical SMILES for (E)-pent-1-ene-1,5-diamine is N/C=C/CCCN.
What is the InChIKey of (E)-pent-1-ene-1,5-diamine?
The InChIKey is WJVNZWSIOUQBPB-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H12N2/c6-4-2-1-3-5-7/h2,4H,1,3,5-7H2/b4-2+.
What are the key properties of (E)-pent-1-ene-1,5-diamine?
(E)-pent-1-ene-1,5-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-1-ene-1,5-diamine is sourced from PubChem (CID 87610087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).