(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine

C9H16N4 — CID 94340676

IUPAC(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(CCn2ccnc2)C1
InChIInChI=1S/C9H16N4/c10-9-1-3-12(7-9)5-6-13-4-2-11-8-13/h2,4,8-9H,1,3,5-7,10H2/t9-/m1/s1
InChIKeyBEHLTMAMFIBPHW-SECBINFHSA-N
MW180.25 g/mol
LogP-0.08
Rot. Bonds3

About (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine

(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine (PubChem CID 94340676) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
PubChem CID94340676
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(CCn2ccnc2)C1
InChIInChI=1S/C9H16N4/c10-9-1-3-12(7-9)5-6-13-4-2-11-8-13/h2,4,8-9H,1,3,5-7,10H2/t9-/m1/s1
InChIKeyBEHLTMAMFIBPHW-SECBINFHSA-N
XLogP-0.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961289
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
1-[2-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethyl]imidazole
CID 124595047
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
CID 63848734
[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
1-[3-[3-(2-chloroethyl)pyrrolidin-1-yl]propyl]imidazole
CID 114800577
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681
N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849479

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine (CID 94340676) is (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine is N[C@@H]1CCN(CCn2ccnc2)C1.
What is the InChIKey of (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine?
The InChIKey is BEHLTMAMFIBPHW-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N4/c10-9-1-3-12(7-9)5-6-13-4-2-11-8-13/h2,4,8-9H,1,3,5-7,10H2/t9-/m1/s1.
What are the key properties of (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine?
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 94340676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).