(E)-N'-methylpent-2-ene-1,5-diamine

C6H14N2 — CID 58788124

IUPAC(E)-N'-methylpent-2-ene-1,5-diamine
SMILESCNCC/C=C/CN
InChIInChI=1S/C6H14N2/c1-8-6-4-2-3-5-7/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyNQTQTJQKFDQXJV-NSCUHMNNSA-N
MW114.19 g/mol
LogP0.11
Rot. Bonds4

About (E)-N'-methylpent-2-ene-1,5-diamine

(E)-N'-methylpent-2-ene-1,5-diamine (PubChem CID 58788124) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-N'-methylpent-2-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-N'-methylpent-2-ene-1,5-diamine
PubChem CID58788124
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-N'-methylpent-2-ene-1,5-diamine
SMILESCNCC/C=C/CN
InChIInChI=1S/C6H14N2/c1-8-6-4-2-3-5-7/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyNQTQTJQKFDQXJV-NSCUHMNNSA-N
XLogP0.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.11
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)-N'-methylpent-2-ene-1,5-diamine?
The IUPAC name of (E)-N'-methylpent-2-ene-1,5-diamine (CID 58788124) is (E)-N'-methylpent-2-ene-1,5-diamine.
What is the SMILES notation for (E)-N'-methylpent-2-ene-1,5-diamine?
The canonical SMILES for (E)-N'-methylpent-2-ene-1,5-diamine is CNCC/C=C/CN.
What is the InChIKey of (E)-N'-methylpent-2-ene-1,5-diamine?
The InChIKey is NQTQTJQKFDQXJV-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H14N2/c1-8-6-4-2-3-5-7/h2-3,8H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-N'-methylpent-2-ene-1,5-diamine?
(E)-N'-methylpent-2-ene-1,5-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-methylpent-2-ene-1,5-diamine is sourced from PubChem (CID 58788124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).