3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine

C19H33N — CID 115805825

IUPAC3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H33N/c1-7-9-10-17(8-2)13-18(20-6)19-15(4)11-14(3)12-16(19)5/h11-12,17-18,20H,7-10,13H2,1-6H3
InChIKeyZYIHBBGZEUQVEC-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.48
Rot. Bonds8

About 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine

3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine (PubChem CID 115805825) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
PubChem CID115805825
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H33N/c1-7-9-10-17(8-2)13-18(20-6)19-15(4)11-14(3)12-16(19)5/h11-12,17-18,20H,7-10,13H2,1-6H3
InChIKeyZYIHBBGZEUQVEC-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-(4,5-dimethylthiophen-2-yl)-3-ethyl-N-methylheptan-1-amine
CID 115806115
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460
1-(5-chloro-2-methylphenyl)-3-ethyl-N-methylheptan-1-amine
CID 115806267
3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine
CID 113455219
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine
CID 105033708
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 107945200
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine (CID 115805825) is 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine is CCCCC(CC)CC(NC)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine?
The InChIKey is ZYIHBBGZEUQVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-7-9-10-17(8-2)13-18(20-6)19-15(4)11-14(3)12-16(19)5/h11-12,17-18,20H,7-10,13H2,1-6H3.
What are the key properties of 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine?
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-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 3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine is sourced from PubChem (CID 115805825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).