1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine

C30H63N3 — CID 157382628

IUPAC1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCCC(=C(N(CCC)CCC)N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C30H63N3/c1-8-15-16-17-18-19-20-21-22-29(31(23-9-2)24-10-3)30(32(25-11-4)26-12-5)33(27-13-6)28-14-7/h8-28H2,1-7H3
InChIKeyBLBHBQGWOWQTCR-UHFFFAOYSA-N
MW465.86 g/mol
LogP9.05
Rot. Bonds24

About 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine

1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine (PubChem CID 157382628) has the molecular formula C30H63N3 and a molecular weight of 465.86 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine
PubChem CID157382628
Molecular FormulaC30H63N3
Molecular Weight465.86 g/mol
Exact Mass465.50
IUPAC Name1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCCC(=C(N(CCC)CCC)N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C30H63N3/c1-8-15-16-17-18-19-20-21-22-29(31(23-9-2)24-10-3)30(32(25-11-4)26-12-5)33(27-13-6)28-14-7/h8-28H2,1-7H3
InChIKeyBLBHBQGWOWQTCR-UHFFFAOYSA-N
XLogP9.05
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.86
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine (CID 157382628) is 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine is CCCCCCCCCCC(=C(N(CCC)CCC)N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine?
The InChIKey is BLBHBQGWOWQTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N3/c1-8-15-16-17-18-19-20-21-22-29(31(23-9-2)24-10-3)30(32(25-11-4)26-12-5)33(27-13-6)28-14-7/h8-28H2,1-7H3.
What are the key properties of 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine?
1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine has a molecular weight of 465.86 g/mol, XLogP of 9.05, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine is sourced from PubChem (CID 157382628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).