4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol

C16H23N3O — CID 106144835

IUPAC4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNCc1cnc2ccccc2n1
InChIInChI=1S/C16H23N3O/c1-16(2,8-5-9-20)12-17-10-13-11-18-14-6-3-4-7-15(14)19-13/h3-4,6-7,11,17,20H,5,8-10,12H2,1-2H3
InChIKeyHREOCTHSLUICMB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.52
Rot. Bonds7

About 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol

4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol (PubChem CID 106144835) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol
PubChem CID106144835
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNCc1cnc2ccccc2n1
InChIInChI=1S/C16H23N3O/c1-16(2,8-5-9-20)12-17-10-13-11-18-14-6-3-4-7-15(14)19-13/h3-4,6-7,11,17,20H,5,8-10,12H2,1-2H3
InChIKeyHREOCTHSLUICMB-UHFFFAOYSA-N
XLogP2.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 106290130
3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 43769565
5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897555
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 103897705
ethyl 4-(quinoxalin-2-ylmethylamino)butanoate
CID 64578319
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 103897626
4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
CID 103897611
2-(quinoxalin-2-ylmethylamino)ethyl carbamate
CID 83211992
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
1-pyridin-4-yl-N-(quinoxalin-2-ylmethyl)methanamine
CID 43769368
4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
CID 103895878

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol (CID 106144835) is 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol is CC(C)(CCCO)CNCc1cnc2ccccc2n1.
What is the InChIKey of 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol?
The InChIKey is HREOCTHSLUICMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,8-5-9-20)12-17-10-13-11-18-14-6-3-4-7-15(14)19-13/h3-4,6-7,11,17,20H,5,8-10,12H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol?
4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 106144835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).