(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine

C7H14N4 — CID 104942319

IUPAC(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CCN
InChIInChI=1S/C7H14N4/c1-6(9)7-4-10-5-11(7)3-2-8/h4-6H,2-3,8-9H2,1H3/t6-/m0/s1
InChIKeyRYSGNZKRUSVCLZ-LURJTMIESA-N
MW154.22 g/mol
LogP-0.14
Rot. Bonds3

About (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine (PubChem CID 104942319) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
PubChem CID104942319
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CCN
InChIInChI=1S/C7H14N4/c1-6(9)7-4-10-5-11(7)3-2-8/h4-6H,2-3,8-9H2,1H3/t6-/m0/s1
InChIKeyRYSGNZKRUSVCLZ-LURJTMIESA-N
XLogP-0.14
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine
CID 104943939
3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide
CID 104942518
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
(1S)-1-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
CID 106433539
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
CID 114707019

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine (CID 104942319) is (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1CCN.
What is the InChIKey of (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine?
The InChIKey is RYSGNZKRUSVCLZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N4/c1-6(9)7-4-10-5-11(7)3-2-8/h4-6H,2-3,8-9H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine has a molecular weight of 154.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).