4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine

C19H42N2 — CID 79057264

IUPAC4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
SMILESCCCCCCCCCCC(NCC)C(C)(CC)N(C)C
InChIInChI=1S/C19H42N2/c1-7-10-11-12-13-14-15-16-17-18(20-9-3)19(4,8-2)21(5)6/h18,20H,7-17H2,1-6H3
InChIKeyQACPBCMWGNUXOA-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.23
Rot. Bonds14

About 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine

4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine (PubChem CID 79057264) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
PubChem CID79057264
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
SMILESCCCCCCCCCCC(NCC)C(C)(CC)N(C)C
InChIInChI=1S/C19H42N2/c1-7-10-11-12-13-14-15-16-17-18(20-9-3)19(4,8-2)21(5)6/h18,20H,7-17H2,1-6H3
InChIKeyQACPBCMWGNUXOA-UHFFFAOYSA-N
XLogP5.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine 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

3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558
3-(dimethylamino)-3-methyltetradecan-4-ol
CID 79064165
N,3-diethyl-3-methoxytridecan-4-amine
CID 116761089
N-ethyl-1,1,1-trifluoroheptan-2-amine
CID 66204149
3-ethyl-4-hydrazinyl-N,N-dimethylundecan-3-amine
CID 105241689
1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine
CID 151565444
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
CID 79057538
N,3,3-trimethylhexadecan-4-amine
CID 115846506
1-N,1-N'-diethyldecane-1,1-diamine
CID 141499810
N-ethyltetradecan-7-amine
CID 87847195

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine?
The IUPAC name of 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine (CID 79057264) is 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine.
What is the SMILES notation for 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine?
The canonical SMILES for 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine is CCCCCCCCCCC(NCC)C(C)(CC)N(C)C.
What is the InChIKey of 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine?
The InChIKey is QACPBCMWGNUXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-7-10-11-12-13-14-15-16-17-18(20-9-3)19(4,8-2)21(5)6/h18,20H,7-17H2,1-6H3.
What are the key properties of 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine?
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.23, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine is sourced from PubChem (CID 79057264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).