N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine

C15H32N2O2 — CID 103178390

IUPACN-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCOCCCOCCNCCCN1CCCCC1C
InChIInChI=1S/C15H32N2O2/c1-15-7-3-4-10-17(15)11-5-8-16-9-14-19-13-6-12-18-2/h15-16H,3-14H2,1-2H3
InChIKeyJUVIGPXATNALSO-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.89
Rot. Bonds11

About N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine

N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 103178390) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID103178390
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCOCCCOCCNCCCN1CCCCC1C
InChIInChI=1S/C15H32N2O2/c1-15-7-3-4-10-17(15)11-5-8-16-9-14-19-13-6-12-18-2/h15-16H,3-14H2,1-2H3
InChIKeyJUVIGPXATNALSO-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
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
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371247
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
3-(2,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62570245
methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 79629128
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 103178390) is N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is COCCCOCCNCCCN1CCCCC1C.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is JUVIGPXATNALSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-15-7-3-4-10-17(15)11-5-8-16-9-14-19-13-6-12-18-2/h15-16H,3-14H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 103178390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).