(NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine

C6H12ClNO — CID 55301431

IUPAC(NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(C)/C(CCl)=N\O
InChIInChI=1S/C6H12ClNO/c1-6(2,3)5(4-7)8-9/h9H,4H2,1-3H3/b8-5-
InChIKeyBJEPVURQDBDEAZ-YVMONPNESA-N
MW149.62 g/mol
LogP2.10
Rot. Bonds1

About (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine

(NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine (PubChem CID 55301431) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine
PubChem CID55301431
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(C)/C(CCl)=N\O
InChIInChI=1S/C6H12ClNO/c1-6(2,3)5(4-7)8-9/h9H,4H2,1-3H3/b8-5-
InChIKeyBJEPVURQDBDEAZ-YVMONPNESA-N
XLogP2.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 12555835
N-(2,2,5,5-tetramethylhexan-3-ylidene)hydroxylamine
CID 59921179
(NE)-N-[3,3-dimethyl-1-(trifluoromethylsulfanyl)butan-2-ylidene]hydroxylamine
CID 88844022
(NE)-N-[3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-ylidene]hydroxylamine
CID 88747848
(2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol
CID 55290819
dichloromethane;2-methylpropan-2-ol
CID 18914702
N-tert-butyl-2-chloroethanimidoyl chloride
CID 12594976
(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 20528220
N-(2-hydroxyethyl)-3-[(3E)-3-hydroxyimino-4,4-dimethylpentoxy]-2-methyl-2-sulfanylpropanamide
CID 170299723
(E)-N-methoxy-2,2-dimethylpentan-3-imine
CID 122659260
N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine
CID 155617632
N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine
CID 152511166

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine (CID 55301431) is (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine is CC(C)(C)/C(CCl)=N\O.
What is the InChIKey of (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The InChIKey is BJEPVURQDBDEAZ-YVMONPNESA-N. The full InChI is InChI=1S/C6H12ClNO/c1-6(2,3)5(4-7)8-9/h9H,4H2,1-3H3/b8-5-.
What are the key properties of (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine?
(NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine has a molecular weight of 149.62 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 55301431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).