1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine

C33H69N3 — CID 160742923

IUPAC1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCCC(=C(N(CCC)CCCC)N(CCC)CCCC)N(CCC)CCCC
InChIInChI=1S/C33H69N3/c1-8-15-19-20-21-22-23-24-25-32(34(26-12-5)29-16-9-2)33(35(27-13-6)30-17-10-3)36(28-14-7)31-18-11-4/h8-31H2,1-7H3
InChIKeyRVVBCUWAKQPFGW-UHFFFAOYSA-N
MW507.94 g/mol
LogP10.22
Rot. Bonds27

About 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine

1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine (PubChem CID 160742923) has the molecular formula C33H69N3 and a molecular weight of 507.94 g/mol. Its IUPAC name is 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine.

Molecular Properties

Compound Name1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine
PubChem CID160742923
Molecular FormulaC33H69N3
Molecular Weight507.94 g/mol
Exact Mass507.55
IUPAC Name1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCCC(=C(N(CCC)CCCC)N(CCC)CCCC)N(CCC)CCCC
InChIInChI=1S/C33H69N3/c1-8-15-19-20-21-22-23-24-25-32(34(26-12-5)29-16-9-2)33(35(27-13-6)30-17-10-3)36(28-14-7)31-18-11-4/h8-31H2,1-7H3
InChIKeyRVVBCUWAKQPFGW-UHFFFAOYSA-N
XLogP10.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.94
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine with MolForge

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Related Compounds

1-decyl-3,4,5-trimethyl-2H-imidazole
CID 68896282
1-dodecyl-3,4,5-trimethyl-2H-imidazole
CID 68897565
1-hexadecyl-3,4,5-trimethyl-2H-imidazole
CID 68968016
1,4,5-trimethyl-3-tetradecyl-2H-imidazole
CID 91543512
1,4,5-trimethyl-3-octadecyl-2H-imidazole
CID 91551336
1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine
CID 150701001
1-N,1-N,1-N',1-N',2-N,2-N-hexaethylundec-1-ene-1,1,2-triamine
CID 150751805
1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine
CID 151970508
1-N,1-N',2-N-triethyl-1-N,1-N',2-N-trimethylundec-1-ene-1,1,2-triamine
CID 152132762
1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropylundec-1-ene-1,1,2-triamine
CID 152381622
1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine
CID 157382628
1,2,2,3,4,5-Hexapentylimidazole
CID 174649737

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine?
The IUPAC name of 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine (CID 160742923) is 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine.
What is the SMILES notation for 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine?
The canonical SMILES for 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine is CCCCCCCCCCC(=C(N(CCC)CCCC)N(CCC)CCCC)N(CCC)CCCC.
What is the InChIKey of 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine?
The InChIKey is RVVBCUWAKQPFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69N3/c1-8-15-19-20-21-22-23-24-25-32(34(26-12-5)29-16-9-2)33(35(27-13-6)30-17-10-3)36(28-14-7)31-18-11-4/h8-31H2,1-7H3.
What are the key properties of 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine?
1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine has a molecular weight of 507.94 g/mol, XLogP of 10.22, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine is sourced from PubChem (CID 160742923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).