N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine

C9H20N2O — CID 127003905

IUPACN-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine
SMILESCON(C)CC1CCCNC1C
InChIInChI=1S/C9H20N2O/c1-8-9(5-4-6-10-8)7-11(2)12-3/h8-10H,4-7H2,1-3H3
InChIKeyQGSVMEOHHWVAFO-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.87
Rot. Bonds3

About N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine

N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine (PubChem CID 127003905) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine
PubChem CID127003905
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine
SMILESCON(C)CC1CCCNC1C
InChIInChI=1S/C9H20N2O/c1-8-9(5-4-6-10-8)7-11(2)12-3/h8-10H,4-7H2,1-3H3
InChIKeyQGSVMEOHHWVAFO-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine
CID 114396562
(2-methylpiperidin-3-yl)methanol
CID 19019552
N-methyl-1-[(2R,3S)-2-methylpiperidin-3-yl]methanamine
CID 143489270
N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 79384952
(3R)-2,3-dimethylpiperidine
CID 118133422
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine
CID 114396569
N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide
CID 125455742
N,N,2-trimethylpyrrolidin-3-amine
CID 54327698
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 112660970
1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one
CID 130600593
2-methylpyrrolidine
CID 142041388
2-methylpyrrolidine
CID 13003

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine?
The IUPAC name of N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine (CID 127003905) is N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine?
The canonical SMILES for N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine is CON(C)CC1CCCNC1C.
What is the InChIKey of N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine?
The InChIKey is QGSVMEOHHWVAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-9(5-4-6-10-8)7-11(2)12-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine?
N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine has a molecular weight of 172.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-(2-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 127003905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).