O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen

C5H13NO — CID 176574728

IUPACO-(2-methylidenebutyl)hydroxylamine;molecular hydrogen
SMILESC=C(CC)CON.[H][H]
InChIInChI=1S/C5H11NO.H2/c1-3-5(2)4-7-6;/h2-4,6H2,1H3;1H
InChIKeyMATORLIMSPNLKJ-UHFFFAOYSA-N
MW103.16 g/mol
LogP1.09
Rot. Bonds3

About O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen

O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen (PubChem CID 176574728) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen.

Molecular Properties

Compound NameO-(2-methylidenebutyl)hydroxylamine;molecular hydrogen
PubChem CID176574728
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC NameO-(2-methylidenebutyl)hydroxylamine;molecular hydrogen
SMILESC=C(CC)CON.[H][H]
InChIInChI=1S/C5H11NO.H2/c1-3-5(2)4-7-6;/h2-4,6H2,1H3;1H
InChIKeyMATORLIMSPNLKJ-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methylidenepentane;hydrate
CID 162329688
triethyl-[(Z)-3-(2-methylidenebutoxy)-1-triethylsilylprop-2-enyl]silane
CID 135071913
1,3-dimethyl-2-(2-methylidenebutoxy)benzene
CID 83056814
1,1-dimethoxy-4-methylidenehexan-2-one
CID 79492297
1-aminooxypropan-2-one
CID 20700160
1-(1-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 105006035
bis(2-methylidenebutyl) 2-prop-2-enyl-2-propylpropanedioate
CID 171777539
[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
2-methyl-5-methylideneheptan-3-amine
CID 66044107
2-methoxy-5-methylideneheptan-3-amine
CID 79616919
4-(2-methylidenebutoxymethyl)piperidine
CID 66045029
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162

Frequently Asked Questions

What is the IUPAC name of O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen?
The IUPAC name of O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen (CID 176574728) is O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen.
What is the SMILES notation for O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen?
The canonical SMILES for O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen is C=C(CC)CON.[H][H].
What is the InChIKey of O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen?
The InChIKey is MATORLIMSPNLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.H2/c1-3-5(2)4-7-6;/h2-4,6H2,1H3;1H.
What are the key properties of O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen?
O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen has a molecular weight of 103.16 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-methylidenebutyl)hydroxylamine;molecular hydrogen is sourced from PubChem (CID 176574728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).