N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine

C8H18N2O — CID 87840037

IUPACN-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine
SMILESC/C(CC(C)C)=N\CCNO
InChIInChI=1S/C8H18N2O/c1-7(2)6-8(3)9-4-5-10-11/h7,10-11H,4-6H2,1-3H3/b9-8+
InChIKeyQDUIPYVJPMURIX-CMDGGOBGSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine

N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine (PubChem CID 87840037) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine
PubChem CID87840037
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine
SMILESC/C(CC(C)C)=N\CCNO
InChIInChI=1S/C8H18N2O/c1-7(2)6-8(3)9-4-5-10-11/h7,10-11H,4-6H2,1-3H3/b9-8+
InChIKeyQDUIPYVJPMURIX-CMDGGOBGSA-N
XLogP1.47
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine?
The IUPAC name of N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine (CID 87840037) is N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine.
What is the SMILES notation for N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine?
The canonical SMILES for N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine is C/C(CC(C)C)=N\CCNO.
What is the InChIKey of N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine?
The InChIKey is QDUIPYVJPMURIX-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)6-8(3)9-4-5-10-11/h7,10-11H,4-6H2,1-3H3/b9-8+.
What are the key properties of N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine?
N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine has a molecular weight of 158.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentan-2-ylideneamino)ethyl]hydroxylamine is sourced from PubChem (CID 87840037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).