(1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine

C9H19N3 — CID 149479585

IUPAC(1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine
SMILESC/N=C/C[C@H](N)[C@@H]1CCN(C)C1
InChIInChI=1S/C9H19N3/c1-11-5-3-9(10)8-4-6-12(2)7-8/h5,8-9H,3-4,6-7,10H2,1-2H3/b11-5+/t8-,9+/m1/s1
InChIKeyZCZDDWVQGFMEOE-MQZTYTOCSA-N
MW169.27 g/mol
LogP0.36
Rot. Bonds3

About (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine

(1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine (PubChem CID 149479585) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine
PubChem CID149479585
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine
SMILESC/N=C/C[C@H](N)[C@@H]1CCN(C)C1
InChIInChI=1S/C9H19N3/c1-11-5-3-9(10)8-4-6-12(2)7-8/h5,8-9H,3-4,6-7,10H2,1-2H3/b11-5+/t8-,9+/m1/s1
InChIKeyZCZDDWVQGFMEOE-MQZTYTOCSA-N
XLogP0.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-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

1-(1-Methylpyrrolidin-3-yl)propan-1-amine
CID 20763626
1-[4-(ethyliminomethyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 71179396
2-(1,3-Dimethylpyrrolidin-2-yl)ethanamine
CID 82594443
1-(1-Ethylpyrrolidin-3-yl)propan-1-amine
CID 83980607
1-(3-Ethyl-1-methylpyrrolidin-2-yl)ethanimine
CID 88562927
4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole
CID 90893131
1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine
CID 91205518
3-Methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine
CID 91435891
Methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium
CID 91506973
(5-Amino-2-methylhexyl)-ethylidene-pentylazanium
CID 123149327
4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine
CID 123337805
[1-(4-Ethyl-3-iminohexan-2-yl)pyrrolidin-3-yl]-methyl-methylideneazanium
CID 123379070

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine?
The IUPAC name of (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine (CID 149479585) is (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine.
What is the SMILES notation for (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine?
The canonical SMILES for (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine is C/N=C/C[C@H](N)[C@@H]1CCN(C)C1.
What is the InChIKey of (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine?
The InChIKey is ZCZDDWVQGFMEOE-MQZTYTOCSA-N. The full InChI is InChI=1S/C9H19N3/c1-11-5-3-9(10)8-4-6-12(2)7-8/h5,8-9H,3-4,6-7,10H2,1-2H3/b11-5+/t8-,9+/m1/s1.
What are the key properties of (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine?
(1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine is sourced from PubChem (CID 149479585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).