3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine

C18H22N2 — CID 63305425

IUPAC3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCc3ncccc3C)C2)c1
InChIInChI=1S/C18H22N2/c1-13-5-3-7-15(9-13)16-10-17(11-16)20-12-18-14(2)6-4-8-19-18/h3-9,16-17,20H,10-12H2,1-2H3
InChIKeyUOTOAIYKYJNTJV-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.73
Rot. Bonds4

About 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine

3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 63305425) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID63305425
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCc3ncccc3C)C2)c1
InChIInChI=1S/C18H22N2/c1-13-5-3-7-15(9-13)16-10-17(11-16)20-12-18-14(2)6-4-8-19-18/h3-9,16-17,20H,10-12H2,1-2H3
InChIKeyUOTOAIYKYJNTJV-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 82731725
3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305958
3-(3-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895117
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 63831294
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 82733626
2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine
CID 43707968
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (CID 63305425) is 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is Cc1cccc(C2CC(NCc3ncccc3C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is UOTOAIYKYJNTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-5-3-7-15(9-13)16-10-17(11-16)20-12-18-14(2)6-4-8-19-18/h3-9,16-17,20H,10-12H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 63305425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).