[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine

C11H20N4 — CID 61482680

IUPAC[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
SMILESCC(Cn1ccnc1)N1CCC(CN)C1
InChIInChI=1S/C11H20N4/c1-10(7-14-5-3-13-9-14)15-4-2-11(6-12)8-15/h3,5,9-11H,2,4,6-8,12H2,1H3
InChIKeyUHQBHXUDOFHBBN-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.55
Rot. Bonds4

About [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine

[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 61482680) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID61482680
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
SMILESCC(Cn1ccnc1)N1CCC(CN)C1
InChIInChI=1S/C11H20N4/c1-10(7-14-5-3-13-9-14)15-4-2-11(6-12)8-15/h3,5,9-11H,2,4,6-8,12H2,1H3
InChIKeyUHQBHXUDOFHBBN-UHFFFAOYSA-N
XLogP0.55
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62511796
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 115492059
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine
CID 24691233
N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62512276
1-imidazol-1-ylpentan-2-amine
CID 62041882
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131787
8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739170
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone;dihydrochloride
CID 154911151
4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018033

Frequently Asked Questions

What is the IUPAC name of [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine (CID 61482680) is [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine is CC(Cn1ccnc1)N1CCC(CN)C1.
What is the InChIKey of [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is UHQBHXUDOFHBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(7-14-5-3-13-9-14)15-4-2-11(6-12)8-15/h3,5,9-11H,2,4,6-8,12H2,1H3.
What are the key properties of [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine?
[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 61482680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).