N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine

C10H18N2O2 — CID 159737053

IUPACN-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine
SMILESCC(C)=CC=NOC(C)(C)CC=NO
InChIInChI=1S/C10H18N2O2/c1-9(2)5-7-12-14-10(3,4)6-8-11-13/h5,7-8,13H,6H2,1-4H3
InChIKeyYEBFMMRLDZICTH-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.58
Rot. Bonds5

About N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine

N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine (PubChem CID 159737053) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine
PubChem CID159737053
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine
SMILESCC(C)=CC=NOC(C)(C)CC=NO
InChIInChI=1S/C10H18N2O2/c1-9(2)5-7-12-14-10(3,4)6-8-11-13/h5,7-8,13H,6H2,1-4H3
InChIKeyYEBFMMRLDZICTH-UHFFFAOYSA-N
XLogP2.58
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine
CID 88709290
(E)-N-methoxy-3-methylbut-2-en-1-imine
CID 177464066
N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine
CID 76529630
N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine
CID 138622945
(NE)-N-[(5Z)-5-hydroxyiminopentylidene]hydroxylamine
CID 5356166
N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine
CID 173447725
N-(12-hydroxyiminododecylidene)hydroxylamine
CID 131876535
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
(5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid
CID 121392972
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine
CID 15926133
(NE)-N-(3-aminopropylidene)hydroxylamine
CID 58684999

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine (CID 159737053) is N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine is CC(C)=CC=NOC(C)(C)CC=NO.
What is the InChIKey of N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine?
The InChIKey is YEBFMMRLDZICTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2)5-7-12-14-10(3,4)6-8-11-13/h5,7-8,13H,6H2,1-4H3.
What are the key properties of N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine?
N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine has a molecular weight of 198.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine is sourced from PubChem (CID 159737053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).