N-ethyl-4,4-dimethyltetradecan-2-amine

C18H39N — CID 64718292

IUPACN-ethyl-4,4-dimethyltetradecan-2-amine
SMILESCCCCCCCCCCC(C)(C)CC(C)NCC
InChIInChI=1S/C18H39N/c1-6-8-9-10-11-12-13-14-15-18(4,5)16-17(3)19-7-2/h17,19H,6-16H2,1-5H3
InChIKeyJSMICNZMBIEUQV-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.93
Rot. Bonds13

About N-ethyl-4,4-dimethyltetradecan-2-amine

N-ethyl-4,4-dimethyltetradecan-2-amine (PubChem CID 64718292) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyltetradecan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyltetradecan-2-amine
PubChem CID64718292
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-ethyl-4,4-dimethyltetradecan-2-amine
SMILESCCCCCCCCCCC(C)(C)CC(C)NCC
InChIInChI=1S/C18H39N/c1-6-8-9-10-11-12-13-14-15-18(4,5)16-17(3)19-7-2/h17,19H,6-16H2,1-5H3
InChIKeyJSMICNZMBIEUQV-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-4,4-dimethyltetradecan-2-amine 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

N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862
4,4-dimethyl-N-propyldodecan-2-amine
CID 64716818
4,4-dimethyldodecan-2-amine
CID 64715723
4,4-dimethyldecan-2-ol
CID 19931322
4,6,6-trimethyldodecane
CID 123621829
16,16,21,21-tetramethylhexatriacontane
CID 174880889
pentane;7,7,9-trimethylpentadecane
CID 161309819
6,6,8-trimethyltridecane
CID 123736183
1-bromo-2,2-dimethyldecane
CID 66048838
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyltetradecan-2-amine?
The IUPAC name of N-ethyl-4,4-dimethyltetradecan-2-amine (CID 64718292) is N-ethyl-4,4-dimethyltetradecan-2-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyltetradecan-2-amine?
The canonical SMILES for N-ethyl-4,4-dimethyltetradecan-2-amine is CCCCCCCCCCC(C)(C)CC(C)NCC.
What is the InChIKey of N-ethyl-4,4-dimethyltetradecan-2-amine?
The InChIKey is JSMICNZMBIEUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-6-8-9-10-11-12-13-14-15-18(4,5)16-17(3)19-7-2/h17,19H,6-16H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyltetradecan-2-amine?
N-ethyl-4,4-dimethyltetradecan-2-amine has a molecular weight of 269.52 g/mol, XLogP of 5.93, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyltetradecan-2-amine is sourced from PubChem (CID 64718292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).