6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine

C12H18N2 — CID 129451789

IUPAC6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine
SMILESCc1cccc(NC[C@H]2CC[C@H]2C)n1
InChIInChI=1S/C12H18N2/c1-9-6-7-11(9)8-13-12-5-3-4-10(2)14-12/h3-5,9,11H,6-8H2,1-2H3,(H,13,14)/t9-,11-/m1/s1
InChIKeyOWLGTTCISYDJQH-MWLCHTKSSA-N
MW190.29 g/mol
LogP2.85
Rot. Bonds3

About 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine

6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine (PubChem CID 129451789) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine
PubChem CID129451789
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine
SMILESCc1cccc(NC[C@H]2CC[C@H]2C)n1
InChIInChI=1S/C12H18N2/c1-9-6-7-11(9)8-13-12-5-3-4-10(2)14-12/h3-5,9,11H,6-8H2,1-2H3,(H,13,14)/t9-,11-/m1/s1
InChIKeyOWLGTTCISYDJQH-MWLCHTKSSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine (CID 129451789) is 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine is Cc1cccc(NC[C@H]2CC[C@H]2C)n1.
What is the InChIKey of 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine?
The InChIKey is OWLGTTCISYDJQH-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-6-7-11(9)8-13-12-5-3-4-10(2)14-12/h3-5,9,11H,6-8H2,1-2H3,(H,13,14)/t9-,11-/m1/s1.
What are the key properties of 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine?
6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine is sourced from PubChem (CID 129451789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).