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

C15H30N2O — CID 107473676

IUPAC2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
SMILESCOCC1=CCN(CC(CN)CC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)9-14(10-16)11-17-7-5-13(6-8-17)12-18-4/h5,14H,6-12,16H2,1-4H3
InChIKeyBZXLVDWOKOMLTL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.28
Rot. Bonds6

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

2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine (PubChem CID 107473676) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
PubChem CID107473676
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
SMILESCOCC1=CCN(CC(CN)CC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)9-14(10-16)11-17-7-5-13(6-8-17)12-18-4/h5,14H,6-12,16H2,1-4H3
InChIKeyBZXLVDWOKOMLTL-UHFFFAOYSA-N
XLogP2.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.28
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-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963658
4-(methoxymethyl)-1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,6-dihydro-2H-pyridine
CID 108122767
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-yl]methanamine
CID 113581620
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-3-amine
CID 113581621
[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine
CID 113581622
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-[(4-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113581632
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-azaspiro[2.5]octane
CID 113581642

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine (CID 107473676) is 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine is COCC1=CCN(CC(CN)CC(C)(C)C)CC1.
What is the InChIKey of 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine?
The InChIKey is BZXLVDWOKOMLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)9-14(10-16)11-17-7-5-13(6-8-17)12-18-4/h5,14H,6-12,16H2,1-4H3.
What are the key properties of 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine?
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 107473676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).