N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine

C8H17NO — CID 15063438

IUPACN-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine
SMILESC=C(C)C(NO)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(2)7(9-10)8(3,4)5/h7,9-10H,1H2,2-5H3
InChIKeySFIRIGCDSJSPLB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.96
Rot. Bonds2

About N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine

N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine (PubChem CID 15063438) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine
PubChem CID15063438
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine
SMILESC=C(C)C(NO)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(2)7(9-10)8(3,4)5/h7,9-10H,1H2,2-5H3
InChIKeySFIRIGCDSJSPLB-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine?
The IUPAC name of N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine (CID 15063438) is N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine.
What is the SMILES notation for N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine?
The canonical SMILES for N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine is C=C(C)C(NO)C(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine?
The InChIKey is SFIRIGCDSJSPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)7(9-10)8(3,4)5/h7,9-10H,1H2,2-5H3.
What are the key properties of N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine?
N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine has a molecular weight of 143.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpent-1-en-3-yl)hydroxylamine is sourced from PubChem (CID 15063438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).