(NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine

C10H17NO — CID 11073801

IUPAC(NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine
SMILESCC1=C(/C=N/O)C(C)(C)CCC1
InChIInChI=1S/C10H17NO/c1-8-5-4-6-10(2,3)9(8)7-11-12/h7,12H,4-6H2,1-3H3/b11-7+
InChIKeyGCYCNVPGTDQJEP-YRNVUSSQSA-N
MW167.25 g/mol
LogP2.97
Rot. Bonds1

About (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine

(NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine (PubChem CID 11073801) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine
PubChem CID11073801
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine
SMILESCC1=C(/C=N/O)C(C)(C)CCC1
InChIInChI=1S/C10H17NO/c1-8-5-4-6-10(2,3)9(8)7-11-12/h7,12H,4-6H2,1-3H3/b11-7+
InChIKeyGCYCNVPGTDQJEP-YRNVUSSQSA-N
XLogP2.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

(NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine
CID 142575044
(NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine
CID 15553298
(E)-N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine
CID 17887265
(NE)-N-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)hydroxylamine
CID 20397532
(NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine
CID 20675918
(2,6,6-Trimethylcyclohexen-1-yl)methanimine
CID 21720756
N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine
CID 54537345
(NZ)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine
CID 59964721
(NE)-N-[(Z)-5-ethyl-2,3,5-trimethylhept-2-enylidene]hydroxylamine
CID 132157574
N-(2,5,9-trimethyldec-2-enylidene)hydroxylamine
CID 139972344
N-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]hydroxylamine
CID 140264394
N-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butylidene]hydroxylamine
CID 140264396

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine (CID 11073801) is (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine is CC1=C(/C=N/O)C(C)(C)CCC1.
What is the InChIKey of (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine?
The InChIKey is GCYCNVPGTDQJEP-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-4-6-10(2,3)9(8)7-11-12/h7,12H,4-6H2,1-3H3/b11-7+.
What are the key properties of (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine?
(NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,6,6-trimethylcyclohexen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 11073801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).