3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine

C15H30N2O — CID 43403752

IUPAC3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCC1CCCCN1CCCNCC1CCCCO1
InChIInChI=1S/C15H30N2O/c1-14-7-2-4-10-17(14)11-6-9-16-13-15-8-3-5-12-18-15/h14-16H,2-13H2,1H3
InChIKeyCJOWRLLFGCOLSW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds6

About 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine

3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine (PubChem CID 43403752) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine
PubChem CID43403752
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCC1CCCCN1CCCNCC1CCCCO1
InChIInChI=1S/C15H30N2O/c1-14-7-2-4-10-17(14)11-6-9-16-13-15-8-3-5-12-18-15/h14-16H,2-13H2,1H3
InChIKeyCJOWRLLFGCOLSW-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139523
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111370280
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
CID 114209368
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43180624
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111831480

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine (CID 43403752) is 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine is CC1CCCCN1CCCNCC1CCCCO1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine?
The InChIKey is CJOWRLLFGCOLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14-7-2-4-10-17(14)11-6-9-16-13-15-8-3-5-12-18-15/h14-16H,2-13H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 43403752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).