(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol

C14H19N3O — CID 95624706

IUPAC(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
SMILESCC(C)[C@@](C)(O)CNc1cnc2ccccc2n1
InChIInChI=1S/C14H19N3O/c1-10(2)14(3,18)9-16-13-8-15-11-6-4-5-7-12(11)17-13/h4-8,10,18H,9H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyIRNTVBXWSFQION-AWEZNQCLSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds4

About (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol

(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol (PubChem CID 95624706) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
PubChem CID95624706
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
SMILESCC(C)[C@@](C)(O)CNc1cnc2ccccc2n1
InChIInChI=1S/C14H19N3O/c1-10(2)14(3,18)9-16-13-8-15-11-6-4-5-7-12(11)17-13/h4-8,10,18H,9H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyIRNTVBXWSFQION-AWEZNQCLSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-2-N-quinoxalin-2-ylbutane-1,2-diamine
CID 113284087
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
N-(2-methyl-2-thiophen-2-ylpropyl)quinoxalin-2-amine
CID 78962959
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
N-[(1-propan-2-ylcyclopropyl)methyl]quinoxalin-2-amine
CID 114114989
N-(2-methylbutan-2-yl)quinoxalin-2-amine
CID 22341074
1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 130162610
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
CID 115596829
N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
CID 115609169
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
CID 141390759
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol?
The IUPAC name of (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol (CID 95624706) is (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol.
What is the SMILES notation for (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol?
The canonical SMILES for (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol is CC(C)[C@@](C)(O)CNc1cnc2ccccc2n1.
What is the InChIKey of (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol?
The InChIKey is IRNTVBXWSFQION-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)14(3,18)9-16-13-8-15-11-6-4-5-7-12(11)17-13/h4-8,10,18H,9H2,1-3H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol?
(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol is sourced from PubChem (CID 95624706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).