1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride

C7H16ClNO2 — CID 173409321

IUPAC1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride
SMILESC=C(C)CONCC(C)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-6(2)5-10-8-4-7(3)9;/h7-9H,1,4-5H2,2-3H3;1H
InChIKeyUCPOHZGRCPWTPN-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.89
Rot. Bonds5

About 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride

1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride (PubChem CID 173409321) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride
PubChem CID173409321
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride
SMILESC=C(C)CONCC(C)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-6(2)5-10-8-4-7(3)9;/h7-9H,1,4-5H2,2-3H3;1H
InChIKeyUCPOHZGRCPWTPN-UHFFFAOYSA-N
XLogP0.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride (CID 173409321) is 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride is C=C(C)CONCC(C)O.Cl.
What is the InChIKey of 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride?
The InChIKey is UCPOHZGRCPWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-6(2)5-10-8-4-7(3)9;/h7-9H,1,4-5H2,2-3H3;1H.
What are the key properties of 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride?
1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 173409321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).