N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine

C13H24N6O — CID 80899497

IUPACN-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(N(C)C2CCCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-3-20-13-16-11(18-14)15-12(17-13)19(2)10-8-6-4-5-7-9-10/h10H,3-9,14H2,1-2H3,(H,15,16,17,18)
InChIKeyJHOPXLSZAHJEEU-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.71
Rot. Bonds5

About N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine

N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80899497) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine
PubChem CID80899497
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(N(C)C2CCCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-3-20-13-16-11(18-14)15-12(17-13)19(2)10-8-6-4-5-7-9-10/h10H,3-9,14H2,1-2H3,(H,15,16,17,18)
InChIKeyJHOPXLSZAHJEEU-UHFFFAOYSA-N
XLogP1.71
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-ethoxy-6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80896501
2-N-cyclohexyl-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80761478
N-cyclohexyl-4-ethoxy-N-ethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80927598
N-cyclohexyl-4-hydrazinyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80927830
4-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80900563
N-cyclopropyl-N-(cyclopropylmethyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80918086
4-(cyclohexylmethoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80925868
6-ethoxy-2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775272
4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 80908177
4-cycloheptyloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80913301
4-ethoxy-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80913146
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 102640102

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine (CID 80899497) is N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(N(C)C2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is JHOPXLSZAHJEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-3-20-13-16-11(18-14)15-12(17-13)19(2)10-8-6-4-5-7-9-10/h10H,3-9,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine?
N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 280.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80899497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).