N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine

C16H23N5 — CID 80909090

IUPACN-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
SMILESCC1CC(C)CC(Nc2nc(NN)nc3ccccc23)C1
InChIInChI=1S/C16H23N5/c1-10-7-11(2)9-12(8-10)18-15-13-5-3-4-6-14(13)19-16(20-15)21-17/h3-6,10-12H,7-9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyAUXWSCCNYJKJEN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine

N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine (PubChem CID 80909090) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
PubChem CID80909090
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
SMILESCC1CC(C)CC(Nc2nc(NN)nc3ccccc23)C1
InChIInChI=1S/C16H23N5/c1-10-7-11(2)9-12(8-10)18-15-13-5-3-4-6-14(13)19-16(20-15)21-17/h3-6,10-12H,7-9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyAUXWSCCNYJKJEN-UHFFFAOYSA-N
XLogP3.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine
CID 80826905
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
CID 80907681
3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114633032
2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine
CID 80827050
N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 64731715
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 83027800
2-hydrazinyl-N-(1-methylcyclohexyl)quinazolin-4-amine
CID 80902645

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine (CID 80909090) is N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine is CC1CC(C)CC(Nc2nc(NN)nc3ccccc23)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine?
The InChIKey is AUXWSCCNYJKJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10-7-11(2)9-12(8-10)18-15-13-5-3-4-6-14(13)19-16(20-15)21-17/h3-6,10-12H,7-9,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine?
N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 80909090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).