(NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine

C12H22N2O — CID 7348733

IUPAC(NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
SMILESC=C(C)[C@@H]1CC[C@](C)(N(C)C)/C(=N\O)C1
InChIInChI=1S/C12H22N2O/c1-9(2)10-6-7-12(3,14(4)5)11(8-10)13-15/h10,15H,1,6-8H2,2-5H3/b13-11-/t10-,12+/m1/s1
InChIKeyHDYBOEKRMHUWEF-BDFTXRFQSA-N
MW210.32 g/mol
LogP2.51
Rot. Bonds2

About (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine

(NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine (PubChem CID 7348733) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
PubChem CID7348733
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
SMILESC=C(C)[C@@H]1CC[C@](C)(N(C)C)/C(=N\O)C1
InChIInChI=1S/C12H22N2O/c1-9(2)10-6-7-12(3,14(4)5)11(8-10)13-15/h10,15H,1,6-8H2,2-5H3/b13-11-/t10-,12+/m1/s1
InChIKeyHDYBOEKRMHUWEF-BDFTXRFQSA-N
XLogP2.51
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
CID 4554299
N-(2-methyl-2-piperidin-1-yl-5-prop-1-en-2-ylcyclohexylidene)hydroxylamine
CID 4572640
(NZ)-N-[(2R,5R)-2-methyl-2-piperidin-1-yl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
CID 7348690
(NZ)-N-[(2R,5S)-2-methyl-2-piperidin-1-yl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
CID 7348692
(NZ)-N-[(2S,5R)-2-methyl-2-piperidin-1-yl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
CID 7348694
(NZ)-N-[(2S,5S)-2-methyl-2-piperidin-1-yl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
CID 7348697
[(1R,2Z,4R)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium
CID 7348728
(NZ)-N-[(2R,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
CID 7348729
[(1R,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium
CID 7348730
(NZ)-N-[(2R,5S)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
CID 7348731
[(1S,2Z,4R)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium
CID 7348732
[(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium
CID 7348734

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine (CID 7348733) is (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine is C=C(C)[C@@H]1CC[C@](C)(N(C)C)/C(=N\O)C1.
What is the InChIKey of (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine?
The InChIKey is HDYBOEKRMHUWEF-BDFTXRFQSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)10-6-7-12(3,14(4)5)11(8-10)13-15/h10,15H,1,6-8H2,2-5H3/b13-11-/t10-,12+/m1/s1.
What are the key properties of (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine?
(NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine has a molecular weight of 210.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2S,5R)-2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 7348733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).