N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine

C21H43N — CID 123878333

IUPACN,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine
SMILESCC=CCCCC(C)(CC)C(C)CC(CC(C)C)N(C)CC
InChIInChI=1S/C21H43N/c1-9-12-13-14-15-21(7,10-2)19(6)17-20(16-18(4)5)22(8)11-3/h9,12,18-20H,10-11,13-17H2,1-8H3
InChIKeyTVKFPSBYWLBFTO-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.54
Rot. Bonds12

About N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine

N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine (PubChem CID 123878333) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine.

Molecular Properties

Compound NameN,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine
PubChem CID123878333
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine
SMILESCC=CCCCC(C)(CC)C(C)CC(CC(C)C)N(C)CC
InChIInChI=1S/C21H43N/c1-9-12-13-14-15-21(7,10-2)19(6)17-20(16-18(4)5)22(8)11-3/h9,12,18-20H,10-11,13-17H2,1-8H3
InChIKeyTVKFPSBYWLBFTO-UHFFFAOYSA-N
XLogP6.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine?
The IUPAC name of N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine (CID 123878333) is N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine.
What is the SMILES notation for N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine?
The canonical SMILES for N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine is CC=CCCCC(C)(CC)C(C)CC(CC(C)C)N(C)CC.
What is the InChIKey of N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine?
The InChIKey is TVKFPSBYWLBFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-9-12-13-14-15-21(7,10-2)19(6)17-20(16-18(4)5)22(8)11-3/h9,12,18-20H,10-11,13-17H2,1-8H3.
What are the key properties of N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine?
N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine has a molecular weight of 309.58 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-diethyl-N,2,6,7-tetramethyltridec-11-en-4-amine is sourced from PubChem (CID 123878333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).