2-pentyltrideca-4,8-diene-1,11-diamine

C18H36N2 — CID 57223971

IUPAC2-pentyltrideca-4,8-diene-1,11-diamine
SMILESCCCCCC(CN)CC=CCCC=CCC(N)CC
InChIInChI=1S/C18H36N2/c1-3-5-10-13-17(16-19)14-11-8-6-7-9-12-15-18(20)4-2/h8-9,11-12,17-18H,3-7,10,13-16,19-20H2,1-2H3
InChIKeyCUYPFAFEFLYPNQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.55
Rot. Bonds13

About 2-pentyltrideca-4,8-diene-1,11-diamine

2-pentyltrideca-4,8-diene-1,11-diamine (PubChem CID 57223971) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-pentyltrideca-4,8-diene-1,11-diamine.

Molecular Properties

Compound Name2-pentyltrideca-4,8-diene-1,11-diamine
PubChem CID57223971
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-pentyltrideca-4,8-diene-1,11-diamine
SMILESCCCCCC(CN)CC=CCCC=CCC(N)CC
InChIInChI=1S/C18H36N2/c1-3-5-10-13-17(16-19)14-11-8-6-7-9-12-15-18(20)4-2/h8-9,11-12,17-18H,3-7,10,13-16,19-20H2,1-2H3
InChIKeyCUYPFAFEFLYPNQ-UHFFFAOYSA-N
XLogP4.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-pentyltrideca-4,8-diene-1,11-diamine?
The IUPAC name of 2-pentyltrideca-4,8-diene-1,11-diamine (CID 57223971) is 2-pentyltrideca-4,8-diene-1,11-diamine.
What is the SMILES notation for 2-pentyltrideca-4,8-diene-1,11-diamine?
The canonical SMILES for 2-pentyltrideca-4,8-diene-1,11-diamine is CCCCCC(CN)CC=CCCC=CCC(N)CC.
What is the InChIKey of 2-pentyltrideca-4,8-diene-1,11-diamine?
The InChIKey is CUYPFAFEFLYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-5-10-13-17(16-19)14-11-8-6-7-9-12-15-18(20)4-2/h8-9,11-12,17-18H,3-7,10,13-16,19-20H2,1-2H3.
What are the key properties of 2-pentyltrideca-4,8-diene-1,11-diamine?
2-pentyltrideca-4,8-diene-1,11-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.55, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyltrideca-4,8-diene-1,11-diamine is sourced from PubChem (CID 57223971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).