2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine

C15H32N2O2 — CID 57222400

IUPAC2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
SMILESCC(C)CNCCCOCCOCCN1CCCC1
InChIInChI=1S/C15H32N2O2/c1-15(2)14-16-6-5-10-18-12-13-19-11-9-17-7-3-4-8-17/h15-16H,3-14H2,1-2H3
InChIKeyXSMTXWKFGYMMCJ-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds12

About 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine

2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine (PubChem CID 57222400) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
PubChem CID57222400
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
SMILESCC(C)CNCCCOCCOCCN1CCCC1
InChIInChI=1S/C15H32N2O2/c1-15(2)14-16-6-5-10-18-12-13-19-11-9-17-7-3-4-8-17/h15-16H,3-14H2,1-2H3
InChIKeyXSMTXWKFGYMMCJ-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
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-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 55077371
1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 153390614
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148587851
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine (CID 57222400) is 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine is CC(C)CNCCCOCCOCCN1CCCC1.
What is the InChIKey of 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine?
The InChIKey is XSMTXWKFGYMMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-15(2)14-16-6-5-10-18-12-13-19-11-9-17-7-3-4-8-17/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine?
2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine is sourced from PubChem (CID 57222400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).