3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine

C12H26N2O — CID 64570290

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
SMILESCCCNCCCN1CCC(COC)C1
InChIInChI=1S/C12H26N2O/c1-3-6-13-7-4-8-14-9-5-12(10-14)11-15-2/h12-13H,3-11H2,1-2H3
InChIKeyAWBABDPCCIQWKC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds8

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine

3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine (PubChem CID 64570290) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
PubChem CID64570290
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
SMILESCCCNCCCN1CCC(COC)C1
InChIInChI=1S/C12H26N2O/c1-3-6-13-7-4-8-14-9-5-12(10-14)11-15-2/h12-13H,3-11H2,1-2H3
InChIKeyAWBABDPCCIQWKC-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 64582805
1-[3-(propylamino)propyl]pyrrolidin-3-ol
CID 62942273
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499
3-(4-ethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62562042
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 64599701
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
CID 64582811
4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 102968026

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine (CID 64570290) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine is CCCNCCCN1CCC(COC)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine?
The InChIKey is AWBABDPCCIQWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-6-13-7-4-8-14-9-5-12(10-14)11-15-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine?
3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 64570290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).