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

C9H15N3O — CID 114703672

IUPAC2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1CC1CC1
InChIInChI=1S/C9H15N3O/c10-8(5-13)9-3-11-6-12(9)4-7-1-2-7/h3,6-8,13H,1-2,4-5,10H2
InChIKeyIAPGQMJKZYCITM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.29
Rot. Bonds4

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

2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol (PubChem CID 114703672) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
PubChem CID114703672
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1CC1CC1
InChIInChI=1S/C9H15N3O/c10-8(5-13)9-3-11-6-12(9)4-7-1-2-7/h3,6-8,13H,1-2,4-5,10H2
InChIKeyIAPGQMJKZYCITM-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine
CID 114705901
2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
CID 114707688
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
CID 114703406
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943087
(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol
CID 114704070
2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
CID 114704961
3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide
CID 106278183
2-amino-2-[3-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]ethanol
CID 114704613
2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
CID 114703272

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol (CID 114703672) is 2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol is NC(CO)c1cncn1CC1CC1.
What is the InChIKey of 2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol?
The InChIKey is IAPGQMJKZYCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8(5-13)9-3-11-6-12(9)4-7-1-2-7/h3,6-8,13H,1-2,4-5,10H2.
What are the key properties of 2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.29, 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-(cyclopropylmethyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114703672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).