(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine

C12H20N4 — CID 104942556

IUPAC(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1C1CCN2CCCC12
InChIInChI=1S/C12H20N4/c1-9(13)12-7-14-8-16(12)11-4-6-15-5-2-3-10(11)15/h7-11H,2-6,13H2,1H3/t9-,10?,11?/m1/s1
InChIKeyNLQXCVWCMKOCRQ-KPPDAEKUSA-N
MW220.32 g/mol
LogP1.31
Rot. Bonds2

About (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine

(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine (PubChem CID 104942556) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine
PubChem CID104942556
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1C1CCN2CCCC12
InChIInChI=1S/C12H20N4/c1-9(13)12-7-14-8-16(12)11-4-6-15-5-2-3-10(11)15/h7-11H,2-6,13H2,1H3/t9-,10?,11?/m1/s1
InChIKeyNLQXCVWCMKOCRQ-KPPDAEKUSA-N
XLogP1.31
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718920
1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
CID 114706919
(1S)-1-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 104943285
(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943263
N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150941
(1R)-1-[3-(3-methylcyclobutyl)imidazol-4-yl]ethanamine
CID 104943894
(1R)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 104943974
(1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 104943969
1-(5-piperidin-2-ylimidazol-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 114704870
(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943270
1-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114706024
1-[3-(1,1-dioxothietan-3-yl)imidazol-4-yl]ethanamine
CID 130921357

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine (CID 104942556) is (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1C1CCN2CCCC12.
What is the InChIKey of (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine?
The InChIKey is NLQXCVWCMKOCRQ-KPPDAEKUSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(13)12-7-14-8-16(12)11-4-6-15-5-2-3-10(11)15/h7-11H,2-6,13H2,1H3/t9-,10?,11?/m1/s1.
What are the key properties of (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).