2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine

C39H82N2O — CID 175633647

IUPAC2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine
SMILESCCCCCCCCCCCCC(CC)CN(CCOCCN(CC)CCC)C(C)CCCCCCCCCCCC
InChIInChI=1S/C39H82N2O/c1-7-12-14-16-18-20-22-24-26-28-30-38(6)41(34-36-42-35-33-40(11-5)32-9-3)37-39(10-4)31-29-27-25-23-21-19-17-15-13-8-2/h38-39H,7-37H2,1-6H3
InChIKeyNDIWUCIMCKRLNG-UHFFFAOYSA-N
MW595.10 g/mol
LogP12.07
Rot. Bonds35

About 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine

2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine (PubChem CID 175633647) has the molecular formula C39H82N2O and a molecular weight of 595.10 g/mol. Its IUPAC name is 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine
PubChem CID175633647
Molecular FormulaC39H82N2O
Molecular Weight595.10 g/mol
Exact Mass594.64
IUPAC Name2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine
SMILESCCCCCCCCCCCCC(CC)CN(CCOCCN(CC)CCC)C(C)CCCCCCCCCCCC
InChIInChI=1S/C39H82N2O/c1-7-12-14-16-18-20-22-24-26-28-30-38(6)41(34-36-42-35-33-40(11-5)32-9-3)37-39(10-4)31-29-27-25-23-21-19-17-15-13-8-2/h38-39H,7-37H2,1-6H3
InChIKeyNDIWUCIMCKRLNG-UHFFFAOYSA-N
XLogP12.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.10
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 114276306
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CID 145404707
4-ethyl-N,N-dipropyldodecan-1-amine
CID 174349455
N-ethyl-N-propylicosan-2-amine
CID 172693354
N-ethyl-N-heptadecyl-9-octylheptadecan-1-amine
CID 168924760
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
CID 97464992
2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine
CID 160564373
ethane;3-ethylundecane
CID 144815521
N-ethyl-N,2-dihexyldecan-1-amine
CID 139891233
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine?
The IUPAC name of 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine (CID 175633647) is 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine.
What is the SMILES notation for 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine?
The canonical SMILES for 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine is CCCCCCCCCCCCC(CC)CN(CCOCCN(CC)CCC)C(C)CCCCCCCCCCCC.
What is the InChIKey of 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine?
The InChIKey is NDIWUCIMCKRLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H82N2O/c1-7-12-14-16-18-20-22-24-26-28-30-38(6)41(34-36-42-35-33-40(11-5)32-9-3)37-39(10-4)31-29-27-25-23-21-19-17-15-13-8-2/h38-39H,7-37H2,1-6H3.
What are the key properties of 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine?
2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine has a molecular weight of 595.10 g/mol, XLogP of 12.07, 35 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine is sourced from PubChem (CID 175633647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).