(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine

C8H13N3O — CID 13491023

IUPAC(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine
SMILESCC(C)(C)/C(=N/O)n1ccnc1
InChIInChI=1S/C8H13N3O/c1-8(2,3)7(10-12)11-5-4-9-6-11/h4-6,12H,1-3H3/b10-7-
InChIKeyWTLKFHGQZVXKSK-YFHOEESVSA-N
MW167.21 g/mol
LogP1.57
Rot. Bonds

About (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine

(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine (PubChem CID 13491023) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine
PubChem CID13491023
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine
SMILESCC(C)(C)/C(=N/O)n1ccnc1
InChIInChI=1S/C8H13N3O/c1-8(2,3)7(10-12)11-5-4-9-6-11/h4-6,12H,1-3H3/b10-7-
InChIKeyWTLKFHGQZVXKSK-YFHOEESVSA-N
XLogP1.57
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine
CID 86127768
(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
CID 88687891
N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine
CID 88748178
(NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine
CID 20518202
1-imidazol-1-yl-2-iodo-2-methylpropane-1-thione
CID 135197295
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-one
CID 54469700
2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide
CID 86738590
1-imidazol-1-ylpropane-1,2-dithione
CID 87350552
S-methyl imidazole-1-carbothioate
CID 59105486
2-imidazol-1-ylpropan-2-ol
CID 57110355
1-(1-fluoroethenyl)imidazole
CID 174960352

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine (CID 13491023) is (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine is CC(C)(C)/C(=N/O)n1ccnc1.
What is the InChIKey of (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine?
The InChIKey is WTLKFHGQZVXKSK-YFHOEESVSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)7(10-12)11-5-4-9-6-11/h4-6,12H,1-3H3/b10-7-.
What are the key properties of (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine?
(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine is sourced from PubChem (CID 13491023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).