(1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine

C7H15N3 — CID 122468740

IUPAC(1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine
SMILESCN/C=C(N)\C=C(/C)CN
InChIInChI=1S/C7H15N3/c1-6(4-8)3-7(9)5-10-2/h3,5,10H,4,8-9H2,1-2H3/b6-3+,7-5+
InChIKeyRYESDZGSIQMHBI-SNCPXTGUSA-N
MW141.22 g/mol
LogP-0.09
Rot. Bonds3

About (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine

(1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine (PubChem CID 122468740) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine.

Molecular Properties

Compound Name(1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine
PubChem CID122468740
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine
SMILESCN/C=C(N)\C=C(/C)CN
InChIInChI=1S/C7H15N3/c1-6(4-8)3-7(9)5-10-2/h3,5,10H,4,8-9H2,1-2H3/b6-3+,7-5+
InChIKeyRYESDZGSIQMHBI-SNCPXTGUSA-N
XLogP-0.09
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine?
The IUPAC name of (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine (CID 122468740) is (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine.
What is the SMILES notation for (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine?
The canonical SMILES for (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine is CN/C=C(N)\C=C(/C)CN.
What is the InChIKey of (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine?
The InChIKey is RYESDZGSIQMHBI-SNCPXTGUSA-N. The full InChI is InChI=1S/C7H15N3/c1-6(4-8)3-7(9)5-10-2/h3,5,10H,4,8-9H2,1-2H3/b6-3+,7-5+.
What are the key properties of (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine?
(1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine has a molecular weight of 141.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine is sourced from PubChem (CID 122468740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).