2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine

C14H26N2 — CID 58987143

IUPAC2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine
SMILESC=C(C)NC(CC)C(=C)NC(CC)C(=C)C
InChIInChI=1S/C14H26N2/c1-8-13(10(3)4)16-12(7)14(9-2)15-11(5)6/h13-16H,3,5,7-9H2,1-2,4,6H3
InChIKeyVITHQZMUARUJCQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.35
Rot. Bonds8

About 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine

2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine (PubChem CID 58987143) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine
PubChem CID58987143
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine
SMILESC=C(C)NC(CC)C(=C)NC(CC)C(=C)C
InChIInChI=1S/C14H26N2/c1-8-13(10(3)4)16-12(7)14(9-2)15-11(5)6/h13-16H,3,5,7-9H2,1-2,4,6H3
InChIKeyVITHQZMUARUJCQ-UHFFFAOYSA-N
XLogP3.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine?
The IUPAC name of 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine (CID 58987143) is 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine?
The canonical SMILES for 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine is C=C(C)NC(CC)C(=C)NC(CC)C(=C)C.
What is the InChIKey of 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine?
The InChIKey is VITHQZMUARUJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-8-13(10(3)4)16-12(7)14(9-2)15-11(5)6/h13-16H,3,5,7-9H2,1-2,4,6H3.
What are the key properties of 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine?
2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine has a molecular weight of 222.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine is sourced from PubChem (CID 58987143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).