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

C18H39N3 — CID 150701001

IUPAC1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCCC(=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C18H39N3/c1-8-9-10-11-12-13-14-15-16-17(19(2)3)18(20(4)5)21(6)7/h8-16H2,1-7H3
InChIKeyJLWKOJOZESZUGE-UHFFFAOYSA-N
MW297.53 g/mol
LogP4.37
Rot. Bonds12

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

1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine (PubChem CID 150701001) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine
PubChem CID150701001
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCCC(=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C18H39N3/c1-8-9-10-11-12-13-14-15-16-17(19(2)3)18(20(4)5)21(6)7/h8-16H2,1-7H3
InChIKeyJLWKOJOZESZUGE-UHFFFAOYSA-N
XLogP4.37
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 54.37
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,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine with MolForge

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Related Compounds

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-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropyldodec-1-ene-1,1,2-triamine
CID 160742923
CID 177484805
CID 177484805
1,3-dimethyl-4,5-di(undecyl)-2H-imidazole
CID 177617233

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine (CID 150701001) is 1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine is CCCCCCCCCCC(=C(N(C)C)N(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine?
The InChIKey is JLWKOJOZESZUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-8-9-10-11-12-13-14-15-16-17(19(2)3)18(20(4)5)21(6)7/h8-16H2,1-7H3.
What are the key properties of 1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine?
1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine has a molecular weight of 297.53 g/mol, XLogP of 4.37, 12 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-hexamethyldodec-1-ene-1,1,2-triamine is sourced from PubChem (CID 150701001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).