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

C15H28N2O — CID 104963658

IUPAC[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
SMILESCOCC1=CCN(CC2CCC(CN)CC2)CC1
InChIInChI=1S/C15H28N2O/c1-18-12-15-6-8-17(9-7-15)11-14-4-2-13(10-16)3-5-14/h6,13-14H,2-5,7-12,16H2,1H3
InChIKeySYMFJGVWBOHSME-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.03
Rot. Bonds5

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

[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine (PubChem CID 104963658) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
PubChem CID104963658
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
SMILESCOCC1=CCN(CC2CCC(CN)CC2)CC1
InChIInChI=1S/C15H28N2O/c1-18-12-15-6-8-17(9-7-15)11-14-4-2-13(10-16)3-5-14/h6,13-14H,2-5,7-12,16H2,1H3
InChIKeySYMFJGVWBOHSME-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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 [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine (CID 104963658) is [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine is COCC1=CCN(CC2CCC(CN)CC2)CC1.
What is the InChIKey of [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The InChIKey is SYMFJGVWBOHSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-18-12-15-6-8-17(9-7-15)11-14-4-2-13(10-16)3-5-14/h6,13-14H,2-5,7-12,16H2,1H3.
What are the key properties of [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine has a molecular weight of 252.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 104963658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).