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

C19H33N — CID 43491112

IUPACN,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H33N/c1-7-10-11-17(8-2)19(20-9-3)18-15(5)12-14(4)13-16(18)6/h12-13,17,19-20H,7-11H2,1-6H3
InChIKeyXLPPOOUQCHDUDS-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.48
Rot. Bonds8

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

N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine (PubChem CID 43491112) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
PubChem CID43491112
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H33N/c1-7-10-11-17(8-2)19(20-9-3)18-15(5)12-14(4)13-16(18)6/h12-13,17,19-20H,7-11H2,1-6H3
InChIKeyXLPPOOUQCHDUDS-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
CID 105027083
N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 82985195
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 43495501
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
CID 106682520
2-(1-chloropentyl)-1,3,5-trimethylbenzene
CID 63431372
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The IUPAC name of N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine (CID 43491112) is N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine is CCCCC(CC)C(NCC)c1c(C)cc(C)cc1C.
What is the InChIKey of N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The InChIKey is XLPPOOUQCHDUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-7-10-11-17(8-2)19(20-9-3)18-15(5)12-14(4)13-16(18)6/h12-13,17,19-20H,7-11H2,1-6H3.
What are the key properties of N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine is sourced from PubChem (CID 43491112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).