3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride

C7H18ClNO — CID 53399017

IUPAC3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride
SMILESCC(C)(C)OCCCN.Cl
InChIInChI=1S/C7H17NO.ClH/c1-7(2,3)9-6-4-5-8;/h4-6,8H2,1-3H3;1H
InChIKeyPWSZRKJMCDQAOY-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.57
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride

3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride (PubChem CID 53399017) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride
PubChem CID53399017
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride
SMILESCC(C)(C)OCCCN.Cl
InChIInChI=1S/C7H17NO.ClH/c1-7(2,3)9-6-4-5-8;/h4-6,8H2,1-3H3;1H
InChIKeyPWSZRKJMCDQAOY-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride (CID 53399017) is 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride is CC(C)(C)OCCCN.Cl.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride?
The InChIKey is PWSZRKJMCDQAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-7(2,3)9-6-4-5-8;/h4-6,8H2,1-3H3;1H.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride?
3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride is sourced from PubChem (CID 53399017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).