(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine

C12H18N2O — CID 105006588

IUPAC(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)C1CCOC1C
InChIInChI=1S/C12H18N2O/c1-8-3-5-14-7-11(8)12(13)10-4-6-15-9(10)2/h3,5,7,9-10,12H,4,6,13H2,1-2H3
InChIKeyWAAUBYCEVNFNEM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.81
Rot. Bonds2

About (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine

(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine (PubChem CID 105006588) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
PubChem CID105006588
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)C1CCOC1C
InChIInChI=1S/C12H18N2O/c1-8-3-5-14-7-11(8)12(13)10-4-6-15-9(10)2/h3,5,7,9-10,12H,4,6,13H2,1-2H3
InChIKeyWAAUBYCEVNFNEM-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573
(2-methyloxolan-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855316
(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 105032948
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
CID 105038890
(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 81156780
N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102709792
N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114104451

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine (CID 105006588) is (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1C(N)C1CCOC1C.
What is the InChIKey of (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is WAAUBYCEVNFNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-3-5-14-7-11(8)12(13)10-4-6-15-9(10)2/h3,5,7,9-10,12H,4,6,13H2,1-2H3.
What are the key properties of (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine?
(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105006588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).