O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine

C10H21NO — CID 174180237

IUPACO-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine
SMILESC=C(C)C(CON)CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)9(7-12-11)6-10(3,4)5/h9H,1,6-7,11H2,2-5H3
InChIKeyKZGJSHDTRGMOIN-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.51
Rot. Bonds4

About O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine

O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine (PubChem CID 174180237) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine.

Molecular Properties

Compound NameO-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine
PubChem CID174180237
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameO-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine
SMILESC=C(C)C(CON)CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)9(7-12-11)6-10(3,4)5/h9H,1,6-7,11H2,2-5H3
InChIKeyKZGJSHDTRGMOIN-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine?
The IUPAC name of O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine (CID 174180237) is O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine.
What is the SMILES notation for O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine?
The canonical SMILES for O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine is C=C(C)C(CON)CC(C)(C)C.
What is the InChIKey of O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine?
The InChIKey is KZGJSHDTRGMOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)9(7-12-11)6-10(3,4)5/h9H,1,6-7,11H2,2-5H3.
What are the key properties of O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine?
O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine has a molecular weight of 171.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine is sourced from PubChem (CID 174180237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).