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

C10H18N4 — CID 106572055

IUPACN-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
SMILESc1c[nH]c(NCCCN2CCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-8-14(7-1)9-3-4-11-10-12-5-6-13-10/h5-6H,1-4,7-9H2,(H2,11,12,13)
InChIKeyMGLNLNYWFNLGPT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.31
Rot. Bonds5

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

N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine (PubChem CID 106572055) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
PubChem CID106572055
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
SMILESc1c[nH]c(NCCCN2CCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-8-14(7-1)9-3-4-11-10-12-5-6-13-10/h5-6H,1-4,7-9H2,(H2,11,12,13)
InChIKeyMGLNLNYWFNLGPT-UHFFFAOYSA-N
XLogP1.31
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine (CID 106572055) is N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine is c1c[nH]c(NCCCN2CCCC2)n1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine?
The InChIKey is MGLNLNYWFNLGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-8-14(7-1)9-3-4-11-10-12-5-6-13-10/h5-6H,1-4,7-9H2,(H2,11,12,13).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine?
N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106572055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).