3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine

C11H24N2O — CID 54855722

IUPAC3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine
SMILESCOCCCNCC1CCCC(C)N1
InChIInChI=1S/C11H24N2O/c1-10-5-3-6-11(13-10)9-12-7-4-8-14-2/h10-13H,3-9H2,1-2H3
InChIKeyMBLGRRYPGBXVLP-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds6

About 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine

3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine (PubChem CID 54855722) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine
PubChem CID54855722
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine
SMILESCOCCCNCC1CCCC(C)N1
InChIInChI=1S/C11H24N2O/c1-10-5-3-6-11(13-10)9-12-7-4-8-14-2/h10-13H,3-9H2,1-2H3
InChIKeyMBLGRRYPGBXVLP-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-6-methylpiperidine
CID 130900787
2-methoxy-N-[(6-methylpiperidin-2-yl)methylsulfamoyl]ethanamine
CID 114815014
3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propanamide
CID 62588747
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636763
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
N-benzyl-1-(6-methylpiperidin-2-yl)methanamine
CID 54855608
N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine
CID 106206340
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
2-(2-cyclopropylethyl)-6-methylpiperidine
CID 106779887

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine (CID 54855722) is 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine is COCCCNCC1CCCC(C)N1.
What is the InChIKey of 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine?
The InChIKey is MBLGRRYPGBXVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10-5-3-6-11(13-10)9-12-7-4-8-14-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine?
3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 54855722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).