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

C14H26N2O — CID 114411026

IUPAC1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
SMILESCOCC1=CCN(CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-17-11-13-5-9-16(10-6-13)12-14(15)7-3-2-4-8-14/h5H,2-4,6-12,15H2,1H3
InChIKeyXGWMVTLIGDDQEL-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.93
Rot. Bonds4

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

1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 114411026) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
PubChem CID114411026
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
SMILESCOCC1=CCN(CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-17-11-13-5-9-16(10-6-13)12-14(15)7-3-2-4-8-14/h5H,2-4,6-12,15H2,1H3
InChIKeyXGWMVTLIGDDQEL-UHFFFAOYSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.93
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]cyclohexan-1-amine?
The IUPAC name of 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine (CID 114411026) is 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine is COCC1=CCN(CC2(N)CCCCC2)CC1.
What is the InChIKey of 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is XGWMVTLIGDDQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-17-11-13-5-9-16(10-6-13)12-14(15)7-3-2-4-8-14/h5H,2-4,6-12,15H2,1H3.
What are the key properties of 1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.93, 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]cyclohexan-1-amine is sourced from PubChem (CID 114411026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).