N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine

C13H24N4 — CID 79541242

IUPACN-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NCCCn1ccnc1
InChIInChI=1S/C13H24N4/c1-12(10-13-4-2-5-16-13)15-6-3-8-17-9-7-14-11-17/h7,9,11-13,15-16H,2-6,8,10H2,1H3
InChIKeyQUUWFZNILAUGIS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.39
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine

N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79541242) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79541242
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NCCCn1ccnc1
InChIInChI=1S/C13H24N4/c1-12(10-13-4-2-5-16-13)15-6-3-8-17-9-7-14-11-17/h7,9,11-13,15-16H,2-6,8,10H2,1H3
InChIKeyQUUWFZNILAUGIS-UHFFFAOYSA-N
XLogP1.39
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-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-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119827227
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541234
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 61372754
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
1-cyclopropyl-N-(2-imidazol-1-ylethyl)propan-2-amine
CID 115706510
N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
N-(3-imidazol-1-ylpropyl)-3-piperidin-2-ylpropanamide
CID 62210335
N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43112147
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine (CID 79541242) is N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine is CC(CC1CCCN1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is QUUWFZNILAUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(10-13-4-2-5-16-13)15-6-3-8-17-9-7-14-11-17/h7,9,11-13,15-16H,2-6,8,10H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine?
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79541242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).