N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine

C12H22N2O — CID 4554299

IUPACN-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
SMILESC=C(C)C1CCC(C)(N(C)C)C(=NO)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
InChIKeyHDYBOEKRMHUWEF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.51
Rot. Bonds2

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

N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine (PubChem CID 4554299) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
PubChem CID4554299
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
SMILESC=C(C)C1CCC(C)(N(C)C)C(=NO)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
InChIKeyHDYBOEKRMHUWEF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine?
The IUPAC name of N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine (CID 4554299) is N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine?
The canonical SMILES for N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine is C=C(C)C1CCC(C)(N(C)C)C(=NO)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine?
The InChIKey is HDYBOEKRMHUWEF-UHFFFAOYSA-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.
What are the key properties of N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine?
N-[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 N-[2-(dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 4554299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).