3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine

C19H30N2 — CID 62994243

IUPAC3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCC(C)CN3CCCC3)C2)cc1
InChIInChI=1S/C19H30N2/c1-15-5-7-17(8-6-15)18-11-19(12-18)20-13-16(2)14-21-9-3-4-10-21/h5-8,16,18-20H,3-4,9-14H2,1-2H3
InChIKeyXJFFNHDMDDQBDF-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.56
Rot. Bonds6

About 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine

3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine (PubChem CID 62994243) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
PubChem CID62994243
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCC(C)CN3CCCC3)C2)cc1
InChIInChI=1S/C19H30N2/c1-15-5-7-17(8-6-15)18-11-19(12-18)20-13-16(2)14-21-9-3-4-10-21/h5-8,16,18-20H,3-4,9-14H2,1-2H3
InChIKeyXJFFNHDMDDQBDF-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
CID 62994419
3-(4-methylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749167
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 102696984
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471742
6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81298545
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)cyclopentan-1-amine
CID 64502363
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62992339
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 106594618
2,2-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxan-5-amine
CID 106658667

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine (CID 62994243) is 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCC(C)CN3CCCC3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine?
The InChIKey is XJFFNHDMDDQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-5-7-17(8-6-15)18-11-19(12-18)20-13-16(2)14-21-9-3-4-10-21/h5-8,16,18-20H,3-4,9-14H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine?
3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 62994243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).