N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine

C15H25NO — CID 134204519

IUPACN-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine
SMILESCC(C)(C)CC12CC3CC(C1)C(=NO)C(C3)C2
InChIInChI=1S/C15H25NO/c1-14(2,3)9-15-6-10-4-11(7-15)13(16-17)12(5-10)8-15/h10-12,17H,4-9H2,1-3H3/b16-13-
InChIKeyMLANWSZLQNEDRC-SSZFMOIBSA-N
MW235.37 g/mol
LogP4.08
Rot. Bonds1

About N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine

N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine (PubChem CID 134204519) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine
PubChem CID134204519
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine
SMILESCC(C)(C)CC12CC3CC(C1)C(=NO)C(C3)C2
InChIInChI=1S/C15H25NO/c1-14(2,3)9-15-6-10-4-11(7-15)13(16-17)12(5-10)8-15/h10-12,17H,4-9H2,1-3H3/b16-13-
InChIKeyMLANWSZLQNEDRC-SSZFMOIBSA-N
XLogP4.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.08
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

CID 174148306
CID 174148306
5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol
CID 134204444
4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one;4-hydroxyiminoadamantan-1-ol
CID 158318854
2-(4-oxo-1-adamantyl)ethyl 2,2-difluoropropanoate
CID 138600715
(NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine
CID 172972696
1-adamantylmethyl 2-bromo-2-methylpropanoate
CID 102412153
1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium
CID 7471211
1-adamantylmethyl 2-chloro-2-methylpropanoate
CID 169075793
1-adamantylmethyl 2-fluoro-2-methylpropanoate
CID 59602420
5-(2-hydroperoxyethyl)adamantan-2-one
CID 89082879
1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane
CID 163628127
5-[[1,1-difluoro-2-methyl-2-(trioxidanylsulfanyl)propoxy]methyl]adamantan-2-one
CID 170110105

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine (CID 134204519) is N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine is CC(C)(C)CC12CC3CC(C1)C(=NO)C(C3)C2.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine?
The InChIKey is MLANWSZLQNEDRC-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)9-15-6-10-4-11(7-15)13(16-17)12(5-10)8-15/h10-12,17H,4-9H2,1-3H3/b16-13-.
What are the key properties of N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine?
N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine has a molecular weight of 235.37 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine is sourced from PubChem (CID 134204519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).