3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine

C16H18N2 — CID 43632173

IUPAC3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
SMILESc1ccc(C2CC(NCc3ccccn3)C2)cc1
InChIInChI=1S/C16H18N2/c1-2-6-13(7-3-1)14-10-16(11-14)18-12-15-8-4-5-9-17-15/h1-9,14,16,18H,10-12H2
InChIKeyLZNLTOSYKIRYEB-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.12
Rot. Bonds4

About 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine

3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine (PubChem CID 43632173) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
PubChem CID43632173
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
SMILESc1ccc(C2CC(NCc3ccccn3)C2)cc1
InChIInChI=1S/C16H18N2/c1-2-6-13(7-3-1)14-10-16(11-14)18-12-15-8-4-5-9-17-15/h1-9,14,16,18H,10-12H2
InChIKeyLZNLTOSYKIRYEB-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine
CID 114110664
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine (CID 43632173) is 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine is c1ccc(C2CC(NCc3ccccn3)C2)cc1.
What is the InChIKey of 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is LZNLTOSYKIRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-13(7-3-1)14-10-16(11-14)18-12-15-8-4-5-9-17-15/h1-9,14,16,18H,10-12H2.
What are the key properties of 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 43632173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).