N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine

C12H26N2O2 — CID 103178950

IUPACN-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
SMILESCOCCCOCCNCCN1CCCC1
InChIInChI=1S/C12H26N2O2/c1-15-10-4-11-16-12-6-13-5-9-14-7-2-3-8-14/h13H,2-12H2,1H3
InChIKeyCSNASDFPEISAKN-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine

N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 103178950) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
PubChem CID103178950
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
SMILESCOCCCOCCNCCN1CCCC1
InChIInChI=1S/C12H26N2O2/c1-15-10-4-11-16-12-6-13-5-9-14-7-2-3-8-14/h13H,2-12H2,1H3
InChIKeyCSNASDFPEISAKN-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
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

N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 103178390
2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62642519
N-(2-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62832411
N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 103178774

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine (CID 103178950) is N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine is COCCCOCCNCCN1CCCC1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is CSNASDFPEISAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-10-4-11-16-12-6-13-5-9-14-7-2-3-8-14/h13H,2-12H2,1H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine?
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 10 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]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 103178950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).