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

C11H17N5 — CID 104942632

IUPAC(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CCc1nccn1C
InChIInChI=1S/C11H17N5/c1-9(12)10-7-13-8-16(10)5-3-11-14-4-6-15(11)2/h4,6-9H,3,5,12H2,1-2H3/t9-/m0/s1
InChIKeyHMFNNPLQMQYNQQ-VIFPVBQESA-N
MW219.29 g/mol
LogP0.88
Rot. Bonds4

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

(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 104942632) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
PubChem CID104942632
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CCc1nccn1C
InChIInChI=1S/C11H17N5/c1-9(12)10-7-13-8-16(10)5-3-11-14-4-6-15(11)2/h4,6-9H,3,5,12H2,1-2H3/t9-/m0/s1
InChIKeyHMFNNPLQMQYNQQ-VIFPVBQESA-N
XLogP0.88
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine
CID 114528940
5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114530992
2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol
CID 114706186
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 106106983
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104943545

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine (CID 104942632) is (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1CCc1nccn1C.
What is the InChIKey of (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is HMFNNPLQMQYNQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N5/c1-9(12)10-7-13-8-16(10)5-3-11-14-4-6-15(11)2/h4,6-9H,3,5,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine?
(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).