1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine

C13H29N3O — CID 103226498

IUPAC1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCCNCC(COC)N1CCC(N(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-7-14-9-13(11-17-4)16-8-6-12(10-16)15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyIHYRGCJYNRBGKP-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds8

About 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 103226498) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID103226498
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCCNCC(COC)N1CCC(N(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-7-14-9-13(11-17-4)16-8-6-12(10-16)15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyIHYRGCJYNRBGKP-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-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

4-(Pyrrolidin-3-yl)morpholine
CID 14627373
(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
4-(Pyrrolidin-3-yl)-1,4-oxazepane
CID 62989035
rac-(3R,4R)-4-methoxy-1-methylpyrrolidin-3-amine
CID 75531171
rac-4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine,cis
CID 99868085
4-(3S)-3-Pyrrolidinyl-morpholine
CID 7176276
4-(Pyrrolidin-3-yl)morpholine hydrochloride
CID 53442929
Trans-1-Ethyl-4-Methoxy-3-Pyrrolidinamine Dihydrochloride
CID 71311032
trans-4-Methoxy-1-methyl-3-pyrrolidinamine dihydrochloride
CID 71311037
(((2S,4S)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 93629690
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082

Frequently Asked Questions

What is the IUPAC name of 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 103226498) is 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine is CCCNCC(COC)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is IHYRGCJYNRBGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-7-14-9-13(11-17-4)16-8-6-12(10-16)15(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 103226498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).