1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine

C12H22N2O — CID 114411039

IUPAC1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
SMILESCOCC1=CCN(CC2(N)CCC2)CC1
InChIInChI=1S/C12H22N2O/c1-15-9-11-3-7-14(8-4-11)10-12(13)5-2-6-12/h3H,2,4-10,13H2,1H3
InChIKeyBEQZQCLSBKKFLR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds4

About 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine

1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine (PubChem CID 114411039) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
PubChem CID114411039
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
SMILESCOCC1=CCN(CC2(N)CCC2)CC1
InChIInChI=1S/C12H22N2O/c1-15-9-11-3-7-14(8-4-11)10-12(13)5-2-6-12/h3H,2,4-10,13H2,1H3
InChIKeyBEQZQCLSBKKFLR-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine (CID 114411039) is 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine is COCC1=CCN(CC2(N)CCC2)CC1.
What is the InChIKey of 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is BEQZQCLSBKKFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-9-11-3-7-14(8-4-11)10-12(13)5-2-6-12/h3H,2,4-10,13H2,1H3.
What are the key properties of 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine?
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114411039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).