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

C17H32N2O — CID 102628027

IUPAC4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCOCC1=CCN(CC2CCC(N)C(C)C2(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-13-16(18)6-5-15(17(13,2)3)11-19-9-7-14(8-10-19)12-20-4/h7,13,15-16H,5-6,8-12,18H2,1-4H3
InChIKeyGRDUGPTWBCZXSU-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds4

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

4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102628027) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102628027
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCOCC1=CCN(CC2CCC(N)C(C)C2(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-13-16(18)6-5-15(17(13,2)3)11-19-9-7-14(8-10-19)12-20-4/h7,13,15-16H,5-6,8-12,18H2,1-4H3
InChIKeyGRDUGPTWBCZXSU-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
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]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102628027) is 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine is COCC1=CCN(CC2CCC(N)C(C)C2(C)C)CC1.
What is the InChIKey of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is GRDUGPTWBCZXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13-16(18)6-5-15(17(13,2)3)11-19-9-7-14(8-10-19)12-20-4/h7,13,15-16H,5-6,8-12,18H2,1-4H3.
What are the key properties of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 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]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102628027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).