(NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine

C14H23NO2 — CID 7349186

IUPAC(NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine
SMILESCO[C@@H](C)/C(=N\O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-9(17-2)13(15-16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12,16H,3-8H2,1-2H3/b15-13+/t9-,10?,11?,12?,14?/m0/s1
InChIKeyXHNRMABNYNGXON-WCSAOZPJSA-N
MW237.34 g/mol
LogP3.07
Rot. Bonds3

About (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine

(NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine (PubChem CID 7349186) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine
PubChem CID7349186
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine
SMILESCO[C@@H](C)/C(=N\O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-9(17-2)13(15-16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12,16H,3-8H2,1-2H3/b15-13+/t9-,10?,11?,12?,14?/m0/s1
InChIKeyXHNRMABNYNGXON-WCSAOZPJSA-N
XLogP3.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide
CID 76952901
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
N'-hydroxyadamantane-1-carboximidamide
CID 6019767
1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one chloride
CID 21235387
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
(R)-1-adamantyl(methoxy)methanol
CID 124639055
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
bis(1-adamantyl)methanimine
CID 87876115
4-O-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089219
N-(2-methoxyethoxy)adamantane-1-carboxamide
CID 110642715
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide
CID 76928107

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine (CID 7349186) is (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine is CO[C@@H](C)/C(=N\O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine?
The InChIKey is XHNRMABNYNGXON-WCSAOZPJSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(17-2)13(15-16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12,16H,3-8H2,1-2H3/b15-13+/t9-,10?,11?,12?,14?/m0/s1.
What are the key properties of (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine?
(NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine has a molecular weight of 237.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2S)-1-(1-adamantyl)-2-methoxypropylidene]hydroxylamine is sourced from PubChem (CID 7349186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).