N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine

C13H20N2O — CID 82733178

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCCc1cccnc1CNCC1CCOC1
InChIInChI=1S/C13H20N2O/c1-2-12-4-3-6-15-13(12)9-14-8-11-5-7-16-10-11/h3-4,6,11,14H,2,5,7-10H2,1H3
InChIKeyRNNAAHUQCKWKGB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine

N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 82733178) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID82733178
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCCc1cccnc1CNCC1CCOC1
InChIInChI=1S/C13H20N2O/c1-2-12-4-3-6-15-13(12)9-14-8-11-5-7-16-10-11/h3-4,6,11,14H,2,5,7-10H2,1H3
InChIKeyRNNAAHUQCKWKGB-UHFFFAOYSA-N
XLogP1.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 104575269
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 45198325
N-[(3-ethyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82732740
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748187
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine (CID 82733178) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine is CCc1cccnc1CNCC1CCOC1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is RNNAAHUQCKWKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12-4-3-6-15-13(12)9-14-8-11-5-7-16-10-11/h3-4,6,11,14H,2,5,7-10H2,1H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 82733178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).