2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine

C19H31N — CID 81418058

IUPAC2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(CCC)cc2)C1(C)CC
InChIInChI=1S/C19H31N/c1-5-8-15-9-11-16(12-10-15)17-14-18(20-13-6-2)19(17,4)7-3/h9-12,17-18,20H,5-8,13-14H2,1-4H3
InChIKeySPWUCHMKNGIFOW-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds7

About 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine

2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine (PubChem CID 81418058) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine
PubChem CID81418058
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(CCC)cc2)C1(C)CC
InChIInChI=1S/C19H31N/c1-5-8-15-9-11-16(12-10-15)17-14-18(20-13-6-2)19(17,4)7-3/h9-12,17-18,20H,5-8,13-14H2,1-4H3
InChIKeySPWUCHMKNGIFOW-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417330
3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 81418332
2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine
CID 81418267
2,2-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
CID 81418143
3-(4-bromothiophen-2-yl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 107355533
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
CID 81417219
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile
CID 81417529
N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine
CID 81416908
2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
CID 112633298
3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417937

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine (CID 81418058) is 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine is CCCNC1CC(c2ccc(CCC)cc2)C1(C)CC.
What is the InChIKey of 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine?
The InChIKey is SPWUCHMKNGIFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-8-15-9-11-16(12-10-15)17-14-18(20-13-6-2)19(17,4)7-3/h9-12,17-18,20H,5-8,13-14H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine?
2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 81418058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).