2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol

C10H17N3O — CID 114704070

IUPAC2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol
SMILESCC(C1CC1)n1cncc1C(N)CO
InChIInChI=1S/C10H17N3O/c1-7(8-2-3-8)13-6-12-4-10(13)9(11)5-14/h4,6-9,14H,2-3,5,11H2,1H3
InChIKeyLQXATBHEFNAQHX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.85
Rot. Bonds4

About 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol

2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol (PubChem CID 114704070) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol
PubChem CID114704070
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol
SMILESCC(C1CC1)n1cncc1C(N)CO
InChIInChI=1S/C10H17N3O/c1-7(8-2-3-8)13-6-12-4-10(13)9(11)5-14/h4,6-9,14H,2-3,5,11H2,1H3
InChIKeyLQXATBHEFNAQHX-UHFFFAOYSA-N
XLogP0.85
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104944059
2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
CID 114705562
2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol
CID 114705010
2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
CID 104943185
2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103114266
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
2-amino-2-[3-(3-methylcyclobutyl)imidazol-4-yl]ethanol
CID 114707600
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
CID 83876291
2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
CID 114707688
2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
CID 114704961

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol (CID 114704070) is 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol is CC(C1CC1)n1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol?
The InChIKey is LQXATBHEFNAQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(8-2-3-8)13-6-12-4-10(13)9(11)5-14/h4,6-9,14H,2-3,5,11H2,1H3.
What are the key properties of 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol has a molecular weight of 195.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114704070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).