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

C14H26N2O — CID 114411043

IUPAC4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
SMILESCOCC1=CCN(CC2CCC(N)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-17-11-13-6-8-16(9-7-13)10-12-2-4-14(15)5-3-12/h6,12,14H,2-5,7-11,15H2,1H3
InChIKeyMRYPYDXPYDGHPZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.78
Rot. Bonds4

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

4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 114411043) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
PubChem CID114411043
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
SMILESCOCC1=CCN(CC2CCC(N)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-17-11-13-6-8-16(9-7-13)10-12-2-4-14(15)5-3-12/h6,12,14H,2-5,7-11,15H2,1H3
InChIKeyMRYPYDXPYDGHPZ-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102628027
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963658
4-(methoxymethyl)-1-[(2-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106741220
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-3-amine
CID 113581621
4-(methoxymethyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 113581627
6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylhexan-1-amine
CID 113581630
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-amine
CID 113581631
4-(methoxymethyl)-1-(3-piperidin-2-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581634
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635
4-(methoxymethyl)-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581643
[2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentyl]methanamine
CID 113581644

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine (CID 114411043) is 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine is COCC1=CCN(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is MRYPYDXPYDGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-17-11-13-6-8-16(9-7-13)10-12-2-4-14(15)5-3-12/h6,12,14H,2-5,7-11,15H2,1H3.
What are the key properties of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.78, 4 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]cyclohexan-1-amine is sourced from PubChem (CID 114411043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).