N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine

C18H31N — CID 43489288

IUPACN-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H31N/c1-7-19-17(12-15(3)13-18(4,5)6)16-10-8-14(2)9-11-16/h8-11,15,17,19H,7,12-13H2,1-6H3
InChIKeyPTRBHZVGTJHPLC-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.11
Rot. Bonds6

About N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine

N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine (PubChem CID 43489288) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
PubChem CID43489288
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H31N/c1-7-19-17(12-15(3)13-18(4,5)6)16-10-8-14(2)9-11-16/h8-11,15,17,19H,7,12-13H2,1-6H3
InChIKeyPTRBHZVGTJHPLC-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
CID 43489064
N-ethyl-1-(2-fluoro-5-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 115852817
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102763898
1-(2,3-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 115861992
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 79726732
2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 66233587
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63508379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine?
The IUPAC name of N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine (CID 43489288) is N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine?
The canonical SMILES for N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine is CCNC(CC(C)CC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine?
The InChIKey is PTRBHZVGTJHPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-19-17(12-15(3)13-18(4,5)6)16-10-8-14(2)9-11-16/h8-11,15,17,19H,7,12-13H2,1-6H3.
What are the key properties of N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine?
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine is sourced from PubChem (CID 43489288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).