N-ethyl-N,2-dihexyldecan-1-amine

C24H51N — CID 139891233

IUPACN-ethyl-N,2-dihexyldecan-1-amine
SMILESCCCCCCCCC(CCCCCC)CN(CC)CCCCCC
InChIInChI=1S/C24H51N/c1-5-9-12-15-16-18-21-24(20-17-13-10-6-2)23-25(8-4)22-19-14-11-7-3/h24H,5-23H2,1-4H3
InChIKeyKWCGNNYMOIOCDB-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.23
Rot. Bonds20

About N-ethyl-N,2-dihexyldecan-1-amine

N-ethyl-N,2-dihexyldecan-1-amine (PubChem CID 139891233) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is N-ethyl-N,2-dihexyldecan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,2-dihexyldecan-1-amine
PubChem CID139891233
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC NameN-ethyl-N,2-dihexyldecan-1-amine
SMILESCCCCCCCCC(CCCCCC)CN(CC)CCCCCC
InChIInChI=1S/C24H51N/c1-5-9-12-15-16-18-21-24(20-17-13-10-6-2)23-25(8-4)22-19-14-11-7-3/h24H,5-23H2,1-4H3
InChIKeyKWCGNNYMOIOCDB-UHFFFAOYSA-N
XLogP8.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.23
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-ethyl-N-heptadecyl-9-octylheptadecan-1-amine
CID 168924760
N'-(8-octylhexadecyl)-N'-undecylpropane-1,3-diamine
CID 170756701
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
2-[docosyl(ethyl)amino]ethane-1,1-diol
CID 175231954
N-hexadecyl-N-(8-methylnonyl)hexadecan-1-amine
CID 139723889
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dihexyldecan-1-amine?
The IUPAC name of N-ethyl-N,2-dihexyldecan-1-amine (CID 139891233) is N-ethyl-N,2-dihexyldecan-1-amine.
What is the SMILES notation for N-ethyl-N,2-dihexyldecan-1-amine?
The canonical SMILES for N-ethyl-N,2-dihexyldecan-1-amine is CCCCCCCCC(CCCCCC)CN(CC)CCCCCC.
What is the InChIKey of N-ethyl-N,2-dihexyldecan-1-amine?
The InChIKey is KWCGNNYMOIOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-5-9-12-15-16-18-21-24(20-17-13-10-6-2)23-25(8-4)22-19-14-11-7-3/h24H,5-23H2,1-4H3.
What are the key properties of N-ethyl-N,2-dihexyldecan-1-amine?
N-ethyl-N,2-dihexyldecan-1-amine has a molecular weight of 353.68 g/mol, XLogP of 8.23, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dihexyldecan-1-amine is sourced from PubChem (CID 139891233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).