N,N-diethyl-2-tetradecylaniline

C24H43N — CID 174968548

IUPACN,N-diethyl-2-tetradecylaniline
SMILESCCCCCCCCCCCCCCc1ccccc1N(CC)CC
InChIInChI=1S/C24H43N/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25(5-2)6-3/h18-19,21-22H,4-17,20H2,1-3H3
InChIKeyWOGCHHCQWNEANH-UHFFFAOYSA-N
MW345.62 g/mol
LogP7.78
Rot. Bonds16

About N,N-diethyl-2-tetradecylaniline

N,N-diethyl-2-tetradecylaniline (PubChem CID 174968548) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is N,N-diethyl-2-tetradecylaniline.

Molecular Properties

Compound NameN,N-diethyl-2-tetradecylaniline
PubChem CID174968548
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC NameN,N-diethyl-2-tetradecylaniline
SMILESCCCCCCCCCCCCCCc1ccccc1N(CC)CC
InChIInChI=1S/C24H43N/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25(5-2)6-3/h18-19,21-22H,4-17,20H2,1-3H3
InChIKeyWOGCHHCQWNEANH-UHFFFAOYSA-N
XLogP7.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-heptadecylaniline
CID 175210337
N,N-diethyl-2-pentadecylaniline;hydrochloride
CID 174968496
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
2-heptyl-N,N-dimethylaniline
CID 69464807
N,N-dimethyl-2-nonadecylaniline;hydrochloride
CID 175204059
2-dodecyl-N,N-dimethylaniline;hydrobromide
CID 175216326
2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
N,N-dimethyl-2-octadecylaniline;hydrobromide
CID 175213757
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-tetradecylaniline?
The IUPAC name of N,N-diethyl-2-tetradecylaniline (CID 174968548) is N,N-diethyl-2-tetradecylaniline.
What is the SMILES notation for N,N-diethyl-2-tetradecylaniline?
The canonical SMILES for N,N-diethyl-2-tetradecylaniline is CCCCCCCCCCCCCCc1ccccc1N(CC)CC.
What is the InChIKey of N,N-diethyl-2-tetradecylaniline?
The InChIKey is WOGCHHCQWNEANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25(5-2)6-3/h18-19,21-22H,4-17,20H2,1-3H3.
What are the key properties of N,N-diethyl-2-tetradecylaniline?
N,N-diethyl-2-tetradecylaniline has a molecular weight of 345.62 g/mol, XLogP of 7.78, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-tetradecylaniline is sourced from PubChem (CID 174968548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).