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

C12H18N2O — CID 115338606

IUPAC2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
SMILESCc1cccnc1CNC1CCOC1C
InChIInChI=1S/C12H18N2O/c1-9-4-3-6-13-12(9)8-14-11-5-7-15-10(11)2/h3-4,6,10-11,14H,5,7-8H2,1-2H3
InChIKeyZAHHFVBGTDFJOL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.66
Rot. Bonds3

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

2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine (PubChem CID 115338606) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
PubChem CID115338606
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
SMILESCc1cccnc1CNC1CCOC1C
InChIInChI=1S/C12H18N2O/c1-9-4-3-6-13-12(9)8-14-11-5-7-15-10(11)2/h3-4,6,10-11,14H,5,7-8H2,1-2H3
InChIKeyZAHHFVBGTDFJOL-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-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 115868289
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
3-ethyl-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112650199
2-methyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 115337151
(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 131107703
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103782069
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine (CID 115338606) is 2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine is Cc1cccnc1CNC1CCOC1C.
What is the InChIKey of 2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The InChIKey is ZAHHFVBGTDFJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-3-6-13-12(9)8-14-11-5-7-15-10(11)2/h3-4,6,10-11,14H,5,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine?
2-methyl-N-[(3-methyl-2-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-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine is sourced from PubChem (CID 115338606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).