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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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).