1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine

C25H52N2 — CID 172801320

IUPAC1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine
SMILESCCCCCCCCCCC=CC(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C25H52N2/c1-6-11-12-13-14-15-16-17-18-19-20-25(26(21-7-2)22-8-3)27(23-9-4)24-10-5/h19-20,25H,6-18,21-24H2,1-5H3
InChIKeyQXDNVDBVECADEJ-UHFFFAOYSA-N
MW380.71 g/mol
LogP7.64
Rot. Bonds20

About 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine

1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine (PubChem CID 172801320) has the molecular formula C25H52N2 and a molecular weight of 380.71 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine
PubChem CID172801320
Molecular FormulaC25H52N2
Molecular Weight380.71 g/mol
Exact Mass380.41
IUPAC Name1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine
SMILESCCCCCCCCCCC=CC(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C25H52N2/c1-6-11-12-13-14-15-16-17-18-19-20-25(26(21-7-2)22-8-3)27(23-9-4)24-10-5/h19-20,25H,6-18,21-24H2,1-5H3
InChIKeyQXDNVDBVECADEJ-UHFFFAOYSA-N
XLogP7.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.71
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753
(22E)-heptatetraconta-22,24-diene
CID 56629131
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine (CID 172801320) is 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine is CCCCCCCCCCC=CC(N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine?
The InChIKey is QXDNVDBVECADEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2/c1-6-11-12-13-14-15-16-17-18-19-20-25(26(21-7-2)22-8-3)27(23-9-4)24-10-5/h19-20,25H,6-18,21-24H2,1-5H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine?
1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine has a molecular weight of 380.71 g/mol, XLogP of 7.64, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetrapropyltridec-2-ene-1,1-diamine is sourced from PubChem (CID 172801320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).