2-pent-1-enyl-2-propylpentane-1,5-diamine

C13H28N2 — CID 57281272

IUPAC2-pent-1-enyl-2-propylpentane-1,5-diamine
SMILESCCCC=CC(CN)(CCC)CCCN
InChIInChI=1S/C13H28N2/c1-3-5-6-9-13(12-15,8-4-2)10-7-11-14/h6,9H,3-5,7-8,10-12,14-15H2,1-2H3
InChIKeyUXNMKSJDXNTMSF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.83
Rot. Bonds9

About 2-pent-1-enyl-2-propylpentane-1,5-diamine

2-pent-1-enyl-2-propylpentane-1,5-diamine (PubChem CID 57281272) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-pent-1-enyl-2-propylpentane-1,5-diamine.

Molecular Properties

Compound Name2-pent-1-enyl-2-propylpentane-1,5-diamine
PubChem CID57281272
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-pent-1-enyl-2-propylpentane-1,5-diamine
SMILESCCCC=CC(CN)(CCC)CCCN
InChIInChI=1S/C13H28N2/c1-3-5-6-9-13(12-15,8-4-2)10-7-11-14/h6,9H,3-5,7-8,10-12,14-15H2,1-2H3
InChIKeyUXNMKSJDXNTMSF-UHFFFAOYSA-N
XLogP2.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.83
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-pent-1-enyl-2-propylpentane-1,5-diamine?
The IUPAC name of 2-pent-1-enyl-2-propylpentane-1,5-diamine (CID 57281272) is 2-pent-1-enyl-2-propylpentane-1,5-diamine.
What is the SMILES notation for 2-pent-1-enyl-2-propylpentane-1,5-diamine?
The canonical SMILES for 2-pent-1-enyl-2-propylpentane-1,5-diamine is CCCC=CC(CN)(CCC)CCCN.
What is the InChIKey of 2-pent-1-enyl-2-propylpentane-1,5-diamine?
The InChIKey is UXNMKSJDXNTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-6-9-13(12-15,8-4-2)10-7-11-14/h6,9H,3-5,7-8,10-12,14-15H2,1-2H3.
What are the key properties of 2-pent-1-enyl-2-propylpentane-1,5-diamine?
2-pent-1-enyl-2-propylpentane-1,5-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-enyl-2-propylpentane-1,5-diamine is sourced from PubChem (CID 57281272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).