N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine

C17H29N — CID 43491113

IUPACN-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
SMILESCCCCCC(NCC)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-6-8-9-10-16(18-7-2)17-14(4)11-13(3)12-15(17)5/h11-12,16,18H,6-10H2,1-5H3
InChIKeyIFPJRXPHKFSFJL-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.84
Rot. Bonds7

About N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine

N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine (PubChem CID 43491113) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
PubChem CID43491113
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
SMILESCCCCCC(NCC)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-6-8-9-10-16(18-7-2)17-14(4)11-13(3)12-15(17)5/h11-12,16,18H,6-10H2,1-5H3
InChIKeyIFPJRXPHKFSFJL-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.84
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

N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 43490948
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
CID 43491139
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The IUPAC name of N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine (CID 43491113) is N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The canonical SMILES for N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine is CCCCCC(NCC)c1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The InChIKey is IFPJRXPHKFSFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-8-9-10-16(18-7-2)17-14(4)11-13(3)12-15(17)5/h11-12,16,18H,6-10H2,1-5H3.
What are the key properties of N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine is sourced from PubChem (CID 43491113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).