[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine

C12H22N2O — CID 106314802

IUPAC[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1=CCCN(CC2CCC(CN)O2)C1
InChIInChI=1S/C12H22N2O/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h3,11-12H,2,4-9,13H2,1H3
InChIKeyBSAOSMCFQPJMMP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.14
Rot. Bonds3

About [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 106314802) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID106314802
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1=CCCN(CC2CCC(CN)O2)C1
InChIInChI=1S/C12H22N2O/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h3,11-12H,2,4-9,13H2,1H3
InChIKeyBSAOSMCFQPJMMP-UHFFFAOYSA-N
XLogP1.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.14
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

[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 114490134
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 114490620
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 114490649
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 114490695
N-methyl-1-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 114490720
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 114490730
N-[2-(cyclohexen-1-yl)ethyl]-N'-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine
CID 16076660
(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 146535821
2-(cyclohexen-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 60692039
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418405
N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine
CID 62418406
N-ethyl-2-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418407

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine (CID 106314802) is [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine is CC1=CCCN(CC2CCC(CN)O2)C1.
What is the InChIKey of [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is BSAOSMCFQPJMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h3,11-12H,2,4-9,13H2,1H3.
What are the key properties of [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 210.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 106314802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).