N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine

C13H18N2O — CID 115757929

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine
SMILESCCc1cccnc1NCC1=CCCOC1
InChIInChI=1S/C13H18N2O/c1-2-12-6-3-7-14-13(12)15-9-11-5-4-8-16-10-11/h3,5-7H,2,4,8-10H2,1H3,(H,14,15)
InChIKeyCPIYOTFXNZOFSV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.40
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine (PubChem CID 115757929) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine
PubChem CID115757929
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine
SMILESCCc1cccnc1NCC1=CCCOC1
InChIInChI=1S/C13H18N2O/c1-2-12-6-3-7-14-13(12)15-9-11-5-4-8-16-10-11/h3,5-7H,2,4,8-10H2,1H3,(H,14,15)
InChIKeyCPIYOTFXNZOFSV-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 115757903
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
N-cyclopropyl-3-ethylpyridin-2-amine
CID 90352584
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 82749017
N-[(3-ethyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82732740
2,3-diethylpyridine
CID 14747123
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrazin-2-one
CID 82740294
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine (CID 115757929) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine is CCc1cccnc1NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine?
The InChIKey is CPIYOTFXNZOFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12-6-3-7-14-13(12)15-9-11-5-4-8-16-10-11/h3,5-7H,2,4,8-10H2,1H3,(H,14,15).
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylpyridin-2-amine is sourced from PubChem (CID 115757929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).