N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

C15H32N2O2 — CID 81094325

IUPACN-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCCOC(CNCCCN1CCCCC1C)OCC
InChIInChI=1S/C15H32N2O2/c1-4-18-15(19-5-2)13-16-10-8-12-17-11-7-6-9-14(17)3/h14-16H,4-13H2,1-3H3
InChIKeyXNVQFOGADIETJX-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.24
Rot. Bonds10

About N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 81094325) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID81094325
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCCOC(CNCCCN1CCCCC1C)OCC
InChIInChI=1S/C15H32N2O2/c1-4-18-15(19-5-2)13-16-10-8-12-17-11-7-6-9-14(17)3/h14-16H,4-13H2,1-3H3
InChIKeyXNVQFOGADIETJX-UHFFFAOYSA-N
XLogP2.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43312067
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43180624
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
CID 114209368
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
N,N-diethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179739
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 81094325) is N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is CCOC(CNCCCN1CCCCC1C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is XNVQFOGADIETJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-18-15(19-5-2)13-16-10-8-12-17-11-7-6-9-14(17)3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 81094325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).