(NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine

C12H19N3O — CID 135665063

IUPAC(NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine
SMILESCCCc1n[nH]c2c1/C(=N/O)CC(C)(C)C2
InChIInChI=1S/C12H19N3O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15-16/h16H,4-7H2,1-3H3,(H,13,14)/b15-10+
InChIKeyLMBUFSHRHWDKOE-XNTDXEJSSA-N
MW221.30 g/mol
LogP2.51
Rot. Bonds2

About (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine

(NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine (PubChem CID 135665063) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine
PubChem CID135665063
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine
SMILESCCCc1n[nH]c2c1/C(=N/O)CC(C)(C)C2
InChIInChI=1S/C12H19N3O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15-16/h16H,4-7H2,1-3H3,(H,13,14)/b15-10+
InChIKeyLMBUFSHRHWDKOE-XNTDXEJSSA-N
XLogP2.51
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine (CID 135665063) is (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine is CCCc1n[nH]c2c1/C(=N/O)CC(C)(C)C2.
What is the InChIKey of (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine?
The InChIKey is LMBUFSHRHWDKOE-XNTDXEJSSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15-16/h16H,4-7H2,1-3H3,(H,13,14)/b15-10+.
What are the key properties of (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine?
(NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine has a molecular weight of 221.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135665063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).