5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine

C13H26N2O — CID 114413427

IUPAC5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine
SMILESCNCCCCCN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-14-8-4-3-5-9-15-10-6-13(7-11-15)12-16-2/h6,14H,3-5,7-12H2,1-2H3
InChIKeyODQZZLXZRSYXJR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds8

About 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine

5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine (PubChem CID 114413427) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine
PubChem CID114413427
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine
SMILESCNCCCCCN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-14-8-4-3-5-9-15-10-6-13(7-11-15)12-16-2/h6,14H,3-5,7-12H2,1-2H3
InChIKeyODQZZLXZRSYXJR-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
CID 114413385
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411060
4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114411004
N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205763
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114410986
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
CID 117003393
N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413349
[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methanamine
CID 114411098
N-[[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 114413535
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130621040
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 114411038

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine?
The IUPAC name of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine (CID 114413427) is 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine?
The canonical SMILES for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine is CNCCCCCN1CC=C(COC)CC1.
What is the InChIKey of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine?
The InChIKey is ODQZZLXZRSYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-8-4-3-5-9-15-10-6-13(7-11-15)12-16-2/h6,14H,3-5,7-12H2,1-2H3.
What are the key properties of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine?
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine is sourced from PubChem (CID 114413427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).