2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride

C8H20ClNO — CID 22415894

IUPAC2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride
SMILESCC(C)CNOCC(C)C.Cl
InChIInChI=1S/C8H19NO.ClH/c1-7(2)5-9-10-6-8(3)4;/h7-9H,5-6H2,1-4H3;1H
InChIKeyRPLKVNUAJCMNMC-UHFFFAOYSA-N
MW181.71 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride

2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride (PubChem CID 22415894) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride
PubChem CID22415894
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC Name2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride
SMILESCC(C)CNOCC(C)C.Cl
InChIInChI=1S/C8H19NO.ClH/c1-7(2)5-9-10-6-8(3)4;/h7-9H,5-6H2,1-4H3;1H
InChIKeyRPLKVNUAJCMNMC-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride (CID 22415894) is 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride is CC(C)CNOCC(C)C.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride?
The InChIKey is RPLKVNUAJCMNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.ClH/c1-7(2)5-9-10-6-8(3)4;/h7-9H,5-6H2,1-4H3;1H.
What are the key properties of 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride?
2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride has a molecular weight of 181.71 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 22415894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).