1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine

C21H45N3 — CID 172783861

IUPAC1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine
SMILESC=CCCCCCCCCCC(N(C)CC)(N(C)CC)N(C)CC
InChIInChI=1S/C21H45N3/c1-8-12-13-14-15-16-17-18-19-20-21(22(5)9-2,23(6)10-3)24(7)11-4/h8H,1,9-20H2,2-7H3
InChIKeyOPTQFDGNQZRFSQ-UHFFFAOYSA-N
MW339.61 g/mol
LogP5.19
Rot. Bonds16

About 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine

1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine (PubChem CID 172783861) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine.

Molecular Properties

Compound Name1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine
PubChem CID172783861
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC Name1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine
SMILESC=CCCCCCCCCCC(N(C)CC)(N(C)CC)N(C)CC
InChIInChI=1S/C21H45N3/c1-8-12-13-14-15-16-17-18-19-20-21(22(5)9-2,23(6)10-3)24(7)11-4/h8H,1,9-20H2,2-7H3
InChIKeyOPTQFDGNQZRFSQ-UHFFFAOYSA-N
XLogP5.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldecane-1,1,1-triamine
CID 151530221
2-butyl-2-icos-19-enyldocos-21-enenitrile
CID 101479739
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
N-but-3-enyl-N,7-dimethyltetradecan-7-amine
CID 167034642
3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one
CID 122674374
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine?
The IUPAC name of 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine (CID 172783861) is 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine.
What is the SMILES notation for 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine?
The canonical SMILES for 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine is C=CCCCCCCCCCC(N(C)CC)(N(C)CC)N(C)CC.
What is the InChIKey of 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine?
The InChIKey is OPTQFDGNQZRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3/c1-8-12-13-14-15-16-17-18-19-20-21(22(5)9-2,23(6)10-3)24(7)11-4/h8H,1,9-20H2,2-7H3.
What are the key properties of 1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine?
1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine has a molecular weight of 339.61 g/mol, XLogP of 5.19, 16 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"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine is sourced from PubChem (CID 172783861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).