N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine

C16H18N2 — CID 43632728

IUPACN-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine
SMILESCc1ccc(C2CC(Nc3cccnc3)C2)cc1
InChIInChI=1S/C16H18N2/c1-12-4-6-13(7-5-12)14-9-16(10-14)18-15-3-2-8-17-11-15/h2-8,11,14,16,18H,9-10H2,1H3
InChIKeyAGJXLKCNPWSUTG-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.75
Rot. Bonds3

About N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine

N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine (PubChem CID 43632728) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine
PubChem CID43632728
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine
SMILESCc1ccc(C2CC(Nc3cccnc3)C2)cc1
InChIInChI=1S/C16H18N2/c1-12-4-6-13(7-5-12)14-9-16(10-14)18-15-3-2-8-17-11-15/h2-8,11,14,16,18H,9-10H2,1H3
InChIKeyAGJXLKCNPWSUTG-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
N-cyclopropylpyridin-3-amine
CID 11297993
4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 43742864
N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine
CID 66350147
3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 107582526
3-[[3-(4-methylphenyl)cyclobutyl]amino]benzoic acid
CID 43635181
3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 114955168
N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine
CID 107587911
4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine
CID 63329771
3-iodo-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43716332
3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632833
2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 64795009

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine?
The IUPAC name of N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine (CID 43632728) is N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine.
What is the SMILES notation for N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine?
The canonical SMILES for N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine is Cc1ccc(C2CC(Nc3cccnc3)C2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine?
The InChIKey is AGJXLKCNPWSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-4-6-13(7-5-12)14-9-16(10-14)18-15-3-2-8-17-11-15/h2-8,11,14,16,18H,9-10H2,1H3.
What are the key properties of N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine?
N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine is sourced from PubChem (CID 43632728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).