2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine

C18H31N — CID 63523408

IUPAC2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CN)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C18H31N/c1-6-8-9-18(7-2,13-19)12-17-15(4)10-14(3)11-16(17)5/h10-11H,6-9,12-13,19H2,1-5H3
InChIKeySCTAUEPCWFWDKM-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.70
Rot. Bonds7

About 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine

2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine (PubChem CID 63523408) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine
PubChem CID63523408
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CN)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C18H31N/c1-6-8-9-18(7-2,13-19)12-17-15(4)10-14(3)11-16(17)5/h10-11H,6-9,12-13,19H2,1-5H3
InChIKeySCTAUEPCWFWDKM-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-2-ethylhexan-1-amine
CID 62725100
2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 112566026
2-butyl-2-ethyldodecan-1-amine
CID 55195465
2-butyl-1,3,5-trimethylbenzene
CID 527298
2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 62725494
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine
CID 62725099
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
3-(aminomethyl)-3-ethyl-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116603890
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine
CID 64779275
2-[2-(bromomethyl)-2-methylpentyl]-1,3,5-trimethylbenzene
CID 66049138

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine (CID 63523408) is 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine is CCCCC(CC)(CN)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine?
The InChIKey is SCTAUEPCWFWDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-8-9-18(7-2,13-19)12-17-15(4)10-14(3)11-16(17)5/h10-11H,6-9,12-13,19H2,1-5H3.
What are the key properties of 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine?
2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 63523408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).