N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine

C9H20N2O — CID 115258466

IUPACN-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
SMILESCOCN(C)C1CCCN(C)C1
InChIInChI=1S/C9H20N2O/c1-10-6-4-5-9(7-10)11(2)8-12-3/h9H,4-8H2,1-3H3
InChIKeySISNCRLWLXQEFP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.62
Rot. Bonds3

About N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine

N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine (PubChem CID 115258466) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
PubChem CID115258466
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
SMILESCOCN(C)C1CCCN(C)C1
InChIInChI=1S/C9H20N2O/c1-10-6-4-5-9(7-10)11(2)8-12-3/h9H,4-8H2,1-3H3
InChIKeySISNCRLWLXQEFP-UHFFFAOYSA-N
XLogP0.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Cambridge id 5452134
CID 783765
Cambridge id 5452560
CID 783804
2-((Diethylamino)methyl)-1-methylpiperidine
CID 3030467
N-ethyl-N',N'-dimethyl-N-(1-methyl-4-piperidinyl)-1,2-ethanediamine
CID 783847
N-ethyl-N',N'-dimethyl-N-(1-propyl-4-piperidinyl)-1,2-ethanediamine
CID 2846519
Piperidine, 3-dimethylamino-1-methyl-
CID 566730
1-Pentyl-4-propan-2-ylpiperazine
CID 22218536
1-Hexyl-4-propan-2-ylpiperazine
CID 22218543
1-Methyl-4-(pentan-2-yl)piperazine
CID 53406307
1-Hexan-2-yl-4-methylpiperazine
CID 66805418
1-Pentan-2-yl-4-propan-2-ylpiperazine
CID 90792391
1-Pentan-2-yl-4-propylpiperazine
CID 91319630

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine (CID 115258466) is N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine is COCN(C)C1CCCN(C)C1.
What is the InChIKey of N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine?
The InChIKey is SISNCRLWLXQEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-6-4-5-9(7-10)11(2)8-12-3/h9H,4-8H2,1-3H3.
What are the key properties of N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine?
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine has a molecular weight of 172.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 115258466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).