N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine

C18H31N — CID 43490948

IUPACN-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
SMILESCCCCCC(NCC)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H31N/c1-7-9-10-11-17(19-8-2)18-15(5)13(3)12-14(4)16(18)6/h12,17,19H,7-11H2,1-6H3
InChIKeyVTEAHZPVQMVYDN-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.15
Rot. Bonds7

About N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine

N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine (PubChem CID 43490948) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
PubChem CID43490948
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
SMILESCCCCCC(NCC)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H31N/c1-7-9-10-11-17(19-8-2)18-15(5)13(3)12-14(4)16(18)6/h12,17,19H,7-11H2,1-6H3
InChIKeyVTEAHZPVQMVYDN-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.15
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-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 43490965
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
3-(1-chloroheptyl)-1,2,4,5-tetramethylbenzene
CID 114753498
1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
CID 107503711
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2,5-dibromo-4-methylphenyl)-N-ethylnonan-1-amine
CID 81474155
1-(2,5-dibromo-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine?
The IUPAC name of N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine (CID 43490948) is N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine?
The canonical SMILES for N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine is CCCCCC(NCC)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine?
The InChIKey is VTEAHZPVQMVYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-9-10-11-17(19-8-2)18-15(5)13(3)12-14(4)16(18)6/h12,17,19H,7-11H2,1-6H3.
What are the key properties of N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine?
N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine is sourced from PubChem (CID 43490948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).