2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine

C16H25N — CID 81417330

IUPAC2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccccc2)C1(C)CC
InChIInChI=1S/C16H25N/c1-4-11-17-15-12-14(16(15,3)5-2)13-9-7-6-8-10-13/h6-10,14-15,17H,4-5,11-12H2,1-3H3
InChIKeyJZZOXWHVGVOYTN-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.96
Rot. Bonds5

About 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine

2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine (PubChem CID 81417330) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
PubChem CID81417330
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccccc2)C1(C)CC
InChIInChI=1S/C16H25N/c1-4-11-17-15-12-14(16(15,3)5-2)13-9-7-6-8-10-13/h6-10,14-15,17H,4-5,11-12H2,1-3H3
InChIKeyJZZOXWHVGVOYTN-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine
CID 81418058
2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine
CID 81418267
3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 81418332
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
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
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
CID 81417219
4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile
CID 81417529
3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 81421409
(1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 101018229

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine (CID 81417330) is 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2ccccc2)C1(C)CC.
What is the InChIKey of 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine?
The InChIKey is JZZOXWHVGVOYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-11-17-15-12-14(16(15,3)5-2)13-9-7-6-8-10-13/h6-10,14-15,17H,4-5,11-12H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine?
2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81417330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).