(E)-N,N'-dimethylpent-1-ene-1,5-diamine

C7H16N2 — CID 88792337

IUPAC(E)-N,N'-dimethylpent-1-ene-1,5-diamine
SMILESCN/C=C/CCCNC
InChIInChI=1S/C7H16N2/c1-8-6-4-3-5-7-9-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+
InChIKeyHRNAVOGWXKPJDB-GQCTYLIASA-N
MW128.22 g/mol
LogP0.72
Rot. Bonds5

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

(E)-N,N'-dimethylpent-1-ene-1,5-diamine (PubChem CID 88792337) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-N,N'-dimethylpent-1-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-N,N'-dimethylpent-1-ene-1,5-diamine
PubChem CID88792337
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-N,N'-dimethylpent-1-ene-1,5-diamine
SMILESCN/C=C/CCCNC
InChIInChI=1S/C7H16N2/c1-8-6-4-3-5-7-9-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+
InChIKeyHRNAVOGWXKPJDB-GQCTYLIASA-N
XLogP0.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-dimethylpent-1-ene-1,5-diamine?
The IUPAC name of (E)-N,N'-dimethylpent-1-ene-1,5-diamine (CID 88792337) is (E)-N,N'-dimethylpent-1-ene-1,5-diamine.
What is the SMILES notation for (E)-N,N'-dimethylpent-1-ene-1,5-diamine?
The canonical SMILES for (E)-N,N'-dimethylpent-1-ene-1,5-diamine is CN/C=C/CCCNC.
What is the InChIKey of (E)-N,N'-dimethylpent-1-ene-1,5-diamine?
The InChIKey is HRNAVOGWXKPJDB-GQCTYLIASA-N. The full InChI is InChI=1S/C7H16N2/c1-8-6-4-3-5-7-9-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+.
What are the key properties of (E)-N,N'-dimethylpent-1-ene-1,5-diamine?
(E)-N,N'-dimethylpent-1-ene-1,5-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dimethylpent-1-ene-1,5-diamine is sourced from PubChem (CID 88792337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).