N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine

C13H24N4 — CID 62579810

IUPACN-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1CCCn1ccnc1
InChIInChI=1S/C13H24N4/c1-2-14-11-13-5-3-8-17(13)9-4-7-16-10-6-15-12-16/h6,10,12-14H,2-5,7-9,11H2,1H3
InChIKeyWTTDXUCQZOEQQD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.35
Rot. Bonds7

About N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine

N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 62579810) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID62579810
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1CCCn1ccnc1
InChIInChI=1S/C13H24N4/c1-2-14-11-13-5-3-8-17(13)9-4-7-16-10-6-15-12-16/h6,10,12-14H,2-5,7-9,11H2,1H3
InChIKeyWTTDXUCQZOEQQD-UHFFFAOYSA-N
XLogP1.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine 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

2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
1-[1-(3-imidazol-1-ylpropyl)azepan-2-yl]propan-2-one
CID 79559937
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63191177
1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
CID 63853813
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111261046
1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
CID 99825714
tert-butyl 2-[(4-imidazol-1-ylbutylamino)methyl]pyrrolidine-1-carboxylate
CID 106638257

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine (CID 62579810) is N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1CCCn1ccnc1.
What is the InChIKey of N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is WTTDXUCQZOEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-14-11-13-5-3-8-17(13)9-4-7-16-10-6-15-12-16/h6,10,12-14H,2-5,7-9,11H2,1H3.
What are the key properties of N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62579810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).