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

C10H18N4 — CID 61462956

IUPAC[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCn2ccnc2)C1
InChIInChI=1S/C10H18N4/c11-7-10-1-3-13(8-10)5-6-14-4-2-12-9-14/h2,4,9-10H,1,3,5-8,11H2
InChIKeyVBUCTWNVXYIJQI-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.16
Rot. Bonds4

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

[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 61462956) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
PubChem CID61462956
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCn2ccnc2)C1
InChIInChI=1S/C10H18N4/c11-7-10-1-3-13(8-10)5-6-14-4-2-12-9-14/h2,4,9-10H,1,3,5-8,11H2
InChIKeyVBUCTWNVXYIJQI-UHFFFAOYSA-N
XLogP0.16
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961289
[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
1-[2-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethyl]imidazole
CID 124595047
1-[3-[3-(2-chloroethyl)pyrrolidin-1-yl]propyl]imidazole
CID 114800577
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
CID 61482680
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681

Frequently Asked Questions

What is the IUPAC name of [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine (CID 61462956) is [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine is NCC1CCN(CCn2ccnc2)C1.
What is the InChIKey of [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is VBUCTWNVXYIJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-7-10-1-3-13(8-10)5-6-14-4-2-12-9-14/h2,4,9-10H,1,3,5-8,11H2.
What are the key properties of [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine?
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 61462956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).