N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

C12H21N3O — CID 64760109

IUPACN-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCOCCNc1n[nH]c2c1CC(C)CC2C
InChIInChI=1S/C12H21N3O/c1-8-6-9(2)11-10(7-8)12(15-14-11)13-4-5-16-3/h8-9H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyANNMZONFFKBDJY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds4

About N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 64760109) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID64760109
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCOCCNc1n[nH]c2c1CC(C)CC2C
InChIInChI=1S/C12H21N3O/c1-8-6-9(2)11-10(7-8)12(15-14-11)13-4-5-16-3/h8-9H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyANNMZONFFKBDJY-UHFFFAOYSA-N
XLogP2.15
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63049736
N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazol-3-amine
CID 63049737
N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine
CID 130526185
N-ethyl-7-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63047957
N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine
CID 114820232
N-(2-methoxyethyl)-5,5-dioxo-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-amine
CID 63049908
CID 162381628
CID 162381628
N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine
CID 63048672
5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64752500
N,5-dimethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
CID 55265291
4-(3-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1H-pyrazol-3-amine
CID 114834548
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 64760109) is N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is COCCNc1n[nH]c2c1CC(C)CC2C.
What is the InChIKey of N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is ANNMZONFFKBDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-6-9(2)11-10(7-8)12(15-14-11)13-4-5-16-3/h8-9H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 64760109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).