1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol

C16H22N4O — CID 102984462

IUPAC1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol
SMILESNc1nc2ccccc2nc1NCC1(O)CCCCCC1
InChIInChI=1S/C16H22N4O/c17-14-15(20-13-8-4-3-7-12(13)19-14)18-11-16(21)9-5-1-2-6-10-16/h3-4,7-8,21H,1-2,5-6,9-11H2,(H2,17,19)(H,18,20)
InChIKeyUSHJDRFURBHODP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.71
Rot. Bonds3

About 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol

1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 102984462) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol
PubChem CID102984462
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol
SMILESNc1nc2ccccc2nc1NCC1(O)CCCCCC1
InChIInChI=1S/C16H22N4O/c17-14-15(20-13-8-4-3-7-12(13)19-14)18-11-16(21)9-5-1-2-6-10-16/h3-4,7-8,21H,1-2,5-6,9-11H2,(H2,17,19)(H,18,20)
InChIKeyUSHJDRFURBHODP-UHFFFAOYSA-N
XLogP2.71
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984701
2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 102984509
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-methylquinoxalin-2-amine
CID 103970448
1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 116795995
1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79916056
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 103378857
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 102983851
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol
CID 61221861
1-[(quinolin-4-ylamino)methyl]cyclopentan-1-ol
CID 65110731

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol (CID 102984462) is 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol is Nc1nc2ccccc2nc1NCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is USHJDRFURBHODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-14-15(20-13-8-4-3-7-12(13)19-14)18-11-16(21)9-5-1-2-6-10-16/h3-4,7-8,21H,1-2,5-6,9-11H2,(H2,17,19)(H,18,20).
What are the key properties of 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol?
1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 102984462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).