5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride

C9H22ClNO — CID 170917368

IUPAC5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride
SMILESCC(C)(C)OCCCCCN.Cl
InChIInChI=1S/C9H21NO.ClH/c1-9(2,3)11-8-6-4-5-7-10;/h4-8,10H2,1-3H3;1H
InChIKeyOATBHUNHHHVTKF-UHFFFAOYSA-N
MW195.73 g/mol
LogP2.35
Rot. Bonds5

About 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride

5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride (PubChem CID 170917368) has the molecular formula C9H22ClNO and a molecular weight of 195.73 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride
PubChem CID170917368
Molecular FormulaC9H22ClNO
Molecular Weight195.73 g/mol
Exact Mass195.14
IUPAC Name5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride
SMILESCC(C)(C)OCCCCCN.Cl
InChIInChI=1S/C9H21NO.ClH/c1-9(2,3)11-8-6-4-5-7-10;/h4-8,10H2,1-3H3;1H
InChIKeyOATBHUNHHHVTKF-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.73
LogP ≤ 52.35
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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Related Compounds

4-(Tert-butoxy)butan-1-amine hydrochloride
CID 138987565
6-(Tert-butoxy)hexan-1-amine hydrochloride
CID 155820007
rac-1-((1R,2S)-2-(tert-butoxy)cyclobutyl)methanamine hydrochloride
CID 167728009
6-(Tert-butoxy)hexan-1-amine
CID 20230572
3,3-Difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 135174643
5-(5-Aminopentoxy)pentan-1-amine;hydrochloride
CID 24182641
5-Ethoxyhexan-1-amine
CID 14874870
5-Ethoxypentan-1-amine
CID 19708207
4-[(2-Methylpropan-2-yl)oxy]pentan-1-amine
CID 20230564
7-[(2-Methylpropan-2-yl)oxy]heptan-1-amine
CID 20230571
5-Propoxypentan-1-amine
CID 20379921
5-Methoxypentan-1-amine hydrochloride
CID 22902495

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride (CID 170917368) is 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride is CC(C)(C)OCCCCCN.Cl.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride?
The InChIKey is OATBHUNHHHVTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.ClH/c1-9(2,3)11-8-6-4-5-7-10;/h4-8,10H2,1-3H3;1H.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride?
5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride has a molecular weight of 195.73 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride is sourced from PubChem (CID 170917368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).