N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine

C11H16N2 — CID 63305574

IUPACN-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
SMILESCc1cccnc1CNC1CCC1
InChIInChI=1S/C11H16N2/c1-9-4-3-7-12-11(9)8-13-10-5-2-6-10/h3-4,7,10,13H,2,5-6,8H2,1H3
InChIKeyDOYLIYINIKMVDR-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.03
Rot. Bonds3

About N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine

N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine (PubChem CID 63305574) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
PubChem CID63305574
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
SMILESCc1cccnc1CNC1CCC1
InChIInChI=1S/C11H16N2/c1-9-4-3-7-12-11(9)8-13-10-5-2-6-10/h3-4,7,10,13H,2,5-6,8H2,1H3
InChIKeyDOYLIYINIKMVDR-UHFFFAOYSA-N
XLogP2.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
1-(3-methylbut-2-enyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine
CID 63306097
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305958

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine (CID 63305574) is N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine is Cc1cccnc1CNC1CCC1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine?
The InChIKey is DOYLIYINIKMVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-4-3-7-12-11(9)8-13-10-5-2-6-10/h3-4,7,10,13H,2,5-6,8H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine?
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine has a molecular weight of 176.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine is sourced from PubChem (CID 63305574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).