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

C13H24N2O — CID 114411021

IUPAC3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
SMILESCOCC1=CCN(CC2CCC(N)C2)CC1
InChIInChI=1S/C13H24N2O/c1-16-10-11-4-6-15(7-5-11)9-12-2-3-13(14)8-12/h4,12-13H,2-3,5-10,14H2,1H3
InChIKeyYAHVDKCVTGJYHP-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.39
Rot. Bonds4

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

3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine (PubChem CID 114411021) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
PubChem CID114411021
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
SMILESCOCC1=CCN(CC2CCC(N)C2)CC1
InChIInChI=1S/C13H24N2O/c1-16-10-11-4-6-15(7-5-11)9-12-2-3-13(14)8-12/h4,12-13H,2-3,5-10,14H2,1H3
InChIKeyYAHVDKCVTGJYHP-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.39
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 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine (CID 114411021) is 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine is COCC1=CCN(CC2CCC(N)C2)CC1.
What is the InChIKey of 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine?
The InChIKey is YAHVDKCVTGJYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-16-10-11-4-6-15(7-5-11)9-12-2-3-13(14)8-12/h4,12-13H,2-3,5-10,14H2,1H3.
What are the key properties of 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine?
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 114411021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).