2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine

C12H18N2O — CID 115868289

IUPAC2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
SMILESCc1ncccc1CNC1CCOC1C
InChIInChI=1S/C12H18N2O/c1-9-11(4-3-6-13-9)8-14-12-5-7-15-10(12)2/h3-4,6,10,12,14H,5,7-8H2,1-2H3
InChIKeyHMSBNLPIKUSQGZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.66
Rot. Bonds3

About 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine

2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine (PubChem CID 115868289) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
PubChem CID115868289
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
SMILESCc1ncccc1CNC1CCOC1C
InChIInChI=1S/C12H18N2O/c1-9-11(4-3-6-13-9)8-14-12-5-7-15-10(12)2/h3-4,6,10,12,14H,5,7-8H2,1-2H3
InChIKeyHMSBNLPIKUSQGZ-UHFFFAOYSA-N
XLogP1.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 115337151
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 130552141
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606
(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 97336733
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129005157
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
CID 82725136
(2S,3R)-N-[(3-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 97102484
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine (CID 115868289) is 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine is Cc1ncccc1CNC1CCOC1C.
What is the InChIKey of 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine?
The InChIKey is HMSBNLPIKUSQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-11(4-3-6-13-9)8-14-12-5-7-15-10(12)2/h3-4,6,10,12,14H,5,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine?
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine is sourced from PubChem (CID 115868289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).