(NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine

C12H21NO — CID 71553284

IUPAC(NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine
SMILESCC1(C)CCC[C@@]2(C)C/C(=N\O)C[C@@H]12
InChIInChI=1S/C12H21NO/c1-11(2)5-4-6-12(3)8-9(13-14)7-10(11)12/h10,14H,4-8H2,1-3H3/b13-9-/t10-,12-/m0/s1
InChIKeyYMJXYYNBCGDPMG-PCBLDGEJSA-N
MW195.31 g/mol
LogP3.44
Rot. Bonds

About (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine

(NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine (PubChem CID 71553284) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine
PubChem CID71553284
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine
SMILESCC1(C)CCC[C@@]2(C)C/C(=N\O)C[C@@H]12
InChIInChI=1S/C12H21NO/c1-11(2)5-4-6-12(3)8-9(13-14)7-10(11)12/h10,14H,4-8H2,1-3H3/b13-9-/t10-,12-/m0/s1
InChIKeyYMJXYYNBCGDPMG-PCBLDGEJSA-N
XLogP3.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.44
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

5alpha-Androstan-3-one, oxime
CID 20835391
AN-584/40181363
CID 5831288
N-[(2Z)-5,5,6-Trimethylbicyclo[2.2.1]heptan-2-ylidene]hydroxylamine
CID 5465597
(NE)-N-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]hydroxylamine
CID 10588775
(2E)-N-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-imine
CID 5354073
5alpha-Androstan-17-one, oxime
CID 5345769
Trimethylbicyclo[2.2.1]heptan-2-one oxime
CID 219334
17-Hydroxyimino-5a-androstane
CID 11876498
(NZ)-N-(1,5,5-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
CID 5465598
CID 5380971
CID 5380971
(NE)-N-(2,3,3a,4,5,6,7,7a-octahydroinden-1-ylidene)hydroxylamine
CID 5715156
(NZ)-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 9566345

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine (CID 71553284) is (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine is CC1(C)CCC[C@@]2(C)C/C(=N\O)C[C@@H]12.
What is the InChIKey of (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine?
The InChIKey is YMJXYYNBCGDPMG-PCBLDGEJSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)5-4-6-12(3)8-9(13-14)7-10(11)12/h10,14H,4-8H2,1-3H3/b13-9-/t10-,12-/m0/s1.
What are the key properties of (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine?
(NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine has a molecular weight of 195.31 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3aS,7aS)-4,4,7a-trimethyl-1,3,3a,5,6,7-hexahydroinden-2-ylidene]hydroxylamine is sourced from PubChem (CID 71553284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).