4,6-diethyl-N,4,6-trimethyldodecan-5-amine

C19H41N — CID 91364063

IUPAC4,6-diethyl-N,4,6-trimethyldodecan-5-amine
SMILESCCCCCCC(C)(CC)C(NC)C(C)(CC)CCC
InChIInChI=1S/C19H41N/c1-8-12-13-14-16-19(6,11-4)17(20-7)18(5,10-3)15-9-2/h17,20H,8-16H2,1-7H3
InChIKeyZBMVGZULIBWUIS-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.18
Rot. Bonds12

About 4,6-diethyl-N,4,6-trimethyldodecan-5-amine

4,6-diethyl-N,4,6-trimethyldodecan-5-amine (PubChem CID 91364063) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is 4,6-diethyl-N,4,6-trimethyldodecan-5-amine.

Molecular Properties

Compound Name4,6-diethyl-N,4,6-trimethyldodecan-5-amine
PubChem CID91364063
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Name4,6-diethyl-N,4,6-trimethyldodecan-5-amine
SMILESCCCCCCC(C)(CC)C(NC)C(C)(CC)CCC
InChIInChI=1S/C19H41N/c1-8-12-13-14-16-19(6,11-4)17(20-7)18(5,10-3)15-9-2/h17,20H,8-16H2,1-7H3
InChIKeyZBMVGZULIBWUIS-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
3-methyl-3-propyloctan-2-ol
CID 20501793
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
2-methyl-2-(methylaminomethyl)octane-1,1-diol
CID 86611073
6-methyl-6-propan-2-ylundecane
CID 87930599
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
4-ethyl-3,4-dimethylundecan-1-ol
CID 123259629
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-N,4,6-trimethyldodecan-5-amine?
The IUPAC name of 4,6-diethyl-N,4,6-trimethyldodecan-5-amine (CID 91364063) is 4,6-diethyl-N,4,6-trimethyldodecan-5-amine.
What is the SMILES notation for 4,6-diethyl-N,4,6-trimethyldodecan-5-amine?
The canonical SMILES for 4,6-diethyl-N,4,6-trimethyldodecan-5-amine is CCCCCCC(C)(CC)C(NC)C(C)(CC)CCC.
What is the InChIKey of 4,6-diethyl-N,4,6-trimethyldodecan-5-amine?
The InChIKey is ZBMVGZULIBWUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-8-12-13-14-16-19(6,11-4)17(20-7)18(5,10-3)15-9-2/h17,20H,8-16H2,1-7H3.
What are the key properties of 4,6-diethyl-N,4,6-trimethyldodecan-5-amine?
4,6-diethyl-N,4,6-trimethyldodecan-5-amine has a molecular weight of 283.54 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-N,4,6-trimethyldodecan-5-amine is sourced from PubChem (CID 91364063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).