2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine

C16H25N — CID 81422045

IUPAC2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
SMILESCCCNC1C(C)C(c2ccc(C)cc2)C1C
InChIInChI=1S/C16H25N/c1-5-10-17-16-12(3)15(13(16)4)14-8-6-11(2)7-9-14/h6-9,12-13,15-17H,5,10H2,1-4H3
InChIKeyFJQAYMAIJDIECB-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.73
Rot. Bonds4

About 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine

2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine (PubChem CID 81422045) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
PubChem CID81422045
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
SMILESCCCNC1C(C)C(c2ccc(C)cc2)C1C
InChIInChI=1S/C16H25N/c1-5-10-17-16-12(3)15(13(16)4)14-8-6-11(2)7-9-14/h6-9,12-13,15-17H,5,10H2,1-4H3
InChIKeyFJQAYMAIJDIECB-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-propylcyclopropan-1-amine
CID 123336138
2,2-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
CID 81418143
1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine
CID 83990850
2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64909011
2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine
CID 76985736
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 54975533
1-(4-methylphenyl)-2-propylhydrazine
CID 54404539
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204
N-ethyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 62604410
3-(4-fluorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64909010

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine?
The IUPAC name of 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine (CID 81422045) is 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine is CCCNC1C(C)C(c2ccc(C)cc2)C1C.
What is the InChIKey of 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine?
The InChIKey is FJQAYMAIJDIECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-10-17-16-12(3)15(13(16)4)14-8-6-11(2)7-9-14/h6-9,12-13,15-17H,5,10H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine?
2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81422045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).