(E)-1-N-ethylpent-2-ene-1,4-diamine

C7H16N2 — CID 88889154

IUPAC(E)-1-N-ethylpent-2-ene-1,4-diamine
SMILESCCNC/C=C/C(C)N
InChIInChI=1S/C7H16N2/c1-3-9-6-4-5-7(2)8/h4-5,7,9H,3,6,8H2,1-2H3/b5-4+
InChIKeyDQKRHEYMWHOZOR-SNAWJCMRSA-N
MW128.22 g/mol
LogP0.50
Rot. Bonds4

About (E)-1-N-ethylpent-2-ene-1,4-diamine

(E)-1-N-ethylpent-2-ene-1,4-diamine (PubChem CID 88889154) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-1-N-ethylpent-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-1-N-ethylpent-2-ene-1,4-diamine
PubChem CID88889154
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-1-N-ethylpent-2-ene-1,4-diamine
SMILESCCNC/C=C/C(C)N
InChIInChI=1S/C7H16N2/c1-3-9-6-4-5-7(2)8/h4-5,7,9H,3,6,8H2,1-2H3/b5-4+
InChIKeyDQKRHEYMWHOZOR-SNAWJCMRSA-N
XLogP0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N-ethylpent-2-ene-1,4-diamine?
The IUPAC name of (E)-1-N-ethylpent-2-ene-1,4-diamine (CID 88889154) is (E)-1-N-ethylpent-2-ene-1,4-diamine.
What is the SMILES notation for (E)-1-N-ethylpent-2-ene-1,4-diamine?
The canonical SMILES for (E)-1-N-ethylpent-2-ene-1,4-diamine is CCNC/C=C/C(C)N.
What is the InChIKey of (E)-1-N-ethylpent-2-ene-1,4-diamine?
The InChIKey is DQKRHEYMWHOZOR-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-9-6-4-5-7(2)8/h4-5,7,9H,3,6,8H2,1-2H3/b5-4+.
What are the key properties of (E)-1-N-ethylpent-2-ene-1,4-diamine?
(E)-1-N-ethylpent-2-ene-1,4-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-ethylpent-2-ene-1,4-diamine is sourced from PubChem (CID 88889154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).