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

C13H30BrN3 — CID 21326436

IUPAC2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide
SMILESBr.C=CC(N)(CCCNCCC)CNCCC
InChIInChI=1S/C13H29N3.BrH/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;1H
InChIKeyPSSQMBKGVDNQOE-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.23
Rot. Bonds11

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

2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide (PubChem CID 21326436) has the molecular formula C13H30BrN3 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide.

Molecular Properties

Compound Name2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide
PubChem CID21326436
Molecular FormulaC13H30BrN3
Molecular Weight308.31 g/mol
Exact Mass307.16
IUPAC Name2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide
SMILESBr.C=CC(N)(CCCNCCC)CNCCC
InChIInChI=1S/C13H29N3.BrH/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;1H
InChIKeyPSSQMBKGVDNQOE-UHFFFAOYSA-N
XLogP2.23
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.23
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;hydrobromide?
The IUPAC name of 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide (CID 21326436) is 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide.
What is the SMILES notation for 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide?
The canonical SMILES for 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide is Br.C=CC(N)(CCCNCCC)CNCCC.
What is the InChIKey of 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide?
The InChIKey is PSSQMBKGVDNQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3.BrH/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;1H.
What are the key properties of 2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide?
2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine;hydrobromide has a molecular weight of 308.31 g/mol, XLogP of 2.23, 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;hydrobromide is sourced from PubChem (CID 21326436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).