N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine

C12H22N2O — CID 131358769

IUPACN-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
SMILESCCNC1(C)CCC(C(C)C)=CC1=NO
InChIInChI=1S/C12H22N2O/c1-5-13-12(4)7-6-10(9(2)3)8-11(12)14-15/h8-9,13,15H,5-7H2,1-4H3
InChIKeyDXUFJPBJVRESGU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.56
Rot. Bonds3

About N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine

N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine (PubChem CID 131358769) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
PubChem CID131358769
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
SMILESCCNC1(C)CCC(C(C)C)=CC1=NO
InChIInChI=1S/C12H22N2O/c1-5-13-12(4)7-6-10(9(2)3)8-11(12)14-15/h8-9,13,15H,5-7H2,1-4H3
InChIKeyDXUFJPBJVRESGU-UHFFFAOYSA-N
XLogP2.56
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[6-(dimethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
CID 131880142
(3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol
CID 15433333
[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
CID 61050687
4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
CID 169162938
3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene
CID 170581542
(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
CID 132544552
2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde
CID 11263703
4-methoxy-4-methyl-1-propan-2-ylcyclohexene
CID 14113117
8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one
CID 163113611
(1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 168723729
[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol
CID 155526464
(1S,3aS,4R,8aR)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
CID 162975091

Frequently Asked Questions

What is the IUPAC name of N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine?
The IUPAC name of N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine (CID 131358769) is N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine is CCNC1(C)CCC(C(C)C)=CC1=NO.
What is the InChIKey of N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine?
The InChIKey is DXUFJPBJVRESGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-13-12(4)7-6-10(9(2)3)8-11(12)14-15/h8-9,13,15H,5-7H2,1-4H3.
What are the key properties of N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine?
N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine has a molecular weight of 210.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(ethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 131358769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).