3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

C16H32N2O — CID 114413500

IUPAC3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCC1=CCN(CC(C)(C)CNCC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-14(2)10-17-12-16(3,4)13-18-8-6-15(7-9-18)11-19-5/h6,14,17H,7-13H2,1-5H3
InChIKeyARQQXGUQMKWMLM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.54
Rot. Bonds8

About 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 114413500) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID114413500
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCC1=CCN(CC(C)(C)CNCC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-14(2)10-17-12-16(3,4)13-18-8-6-15(7-9-18)11-19-5/h6,14,17H,7-13H2,1-5H3
InChIKeyARQQXGUQMKWMLM-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.54
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

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole
CID 164996552
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(methoxymethyl)-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
CID 105576215
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
CID 107473676
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-N-propylbutan-1-amine
CID 113582031
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113582032
N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutyl]cyclopropanamine
CID 113582037
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-N-propylbutan-1-amine
CID 113582038
N-tert-butyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine
CID 113582040

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 114413500) is 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is COCC1=CCN(CC(C)(C)CNCC(C)C)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is ARQQXGUQMKWMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)10-17-12-16(3,4)13-18-8-6-15(7-9-18)11-19-5/h6,14,17H,7-13H2,1-5H3.
What are the key properties of 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 114413500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).