3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine

C16H18N2 — CID 116506701

IUPAC3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine
SMILESNc1ncccc1Cc1ccc(C2CCC2)cc1
InChIInChI=1S/C16H18N2/c17-16-15(5-2-10-18-16)11-12-6-8-14(9-7-12)13-3-1-4-13/h2,5-10,13H,1,3-4,11H2,(H2,17,18)
InChIKeyJYKXXSUUVJRXRJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.52
Rot. Bonds3

About 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine

3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine (PubChem CID 116506701) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine
PubChem CID116506701
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine
SMILESNc1ncccc1Cc1ccc(C2CCC2)cc1
InChIInChI=1S/C16H18N2/c17-16-15(5-2-10-18-16)11-12-6-8-14(9-7-12)13-3-1-4-13/h2,5-10,13H,1,3-4,11H2,(H2,17,18)
InChIKeyJYKXXSUUVJRXRJ-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
1-Isoquinolinamine
CID 73742
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097
Isoquinolin-3-Amine
CID 311869
Thiourea, N-(2-phenylethyl)-N'-2-pyridinyl-
CID 799959
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine (CID 116506701) is 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine is Nc1ncccc1Cc1ccc(C2CCC2)cc1.
What is the InChIKey of 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine?
The InChIKey is JYKXXSUUVJRXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-16-15(5-2-10-18-16)11-12-6-8-14(9-7-12)13-3-1-4-13/h2,5-10,13H,1,3-4,11H2,(H2,17,18).
What are the key properties of 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine?
3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 116506701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).