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

C15H28N2O — CID 114410907

IUPAC[1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
SMILESCOCC1=CCN(CC2(CN)CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-18-11-14-5-9-17(10-6-14)13-15(12-16)7-3-2-4-8-15/h5H,2-4,6-13,16H2,1H3
InChIKeyQVKJUUMJKMULPD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.17
Rot. Bonds5

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

[1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine (PubChem CID 114410907) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
PubChem CID114410907
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
SMILESCOCC1=CCN(CC2(CN)CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-18-11-14-5-9-17(10-6-14)13-15(12-16)7-3-2-4-8-15/h5H,2-4,6-13,16H2,1H3
InChIKeyQVKJUUMJKMULPD-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.17
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]cyclohexyl]methanamine?
The IUPAC name of [1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine (CID 114410907) is [1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine is COCC1=CCN(CC2(CN)CCCCC2)CC1.
What is the InChIKey of [1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The InChIKey is QVKJUUMJKMULPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-18-11-14-5-9-17(10-6-14)13-15(12-16)7-3-2-4-8-15/h5H,2-4,6-13,16H2,1H3.
What are the key properties of [1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
[1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine has a molecular weight of 252.40 g/mol, XLogP of 2.17, 5 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]cyclohexyl]methanamine is sourced from PubChem (CID 114410907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).