2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine

C13H29N3 — CID 21326437

IUPAC2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine
SMILESC=CC(N)(CCCNCCC)CNCCC
InChIInChI=1S/C13H29N3/c1-4-9-15-11-7-8-13(14,6-3)12-16-10-5-2/h6,15-16H,3-5,7-12,14H2,1-2H3
InChIKeyHBHPGMJTOTUOLX-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.65
Rot. Bonds11

About 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine

2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine (PubChem CID 21326437) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine.

Molecular Properties

Compound Name2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine
PubChem CID21326437
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine
SMILESC=CC(N)(CCCNCCC)CNCCC
InChIInChI=1S/C13H29N3/c1-4-9-15-11-7-8-13(14,6-3)12-16-10-5-2/h6,15-16H,3-5,7-12,14H2,1-2H3
InChIKeyHBHPGMJTOTUOLX-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine?
The IUPAC name of 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine (CID 21326437) is 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine.
What is the SMILES notation for 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine?
The canonical SMILES for 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine is C=CC(N)(CCCNCCC)CNCCC.
What is the InChIKey of 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine?
The InChIKey is HBHPGMJTOTUOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-9-15-11-7-8-13(14,6-3)12-16-10-5-2/h6,15-16H,3-5,7-12,14H2,1-2H3.
What are the key properties of 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine?
2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine has a molecular weight of 227.40 g/mol, XLogP of 1.65, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine is sourced from PubChem (CID 21326437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).