N-(2-methylpropoxy)butan-2-amine

C8H19NO — CID 82709503

IUPACN-(2-methylpropoxy)butan-2-amine
SMILESCCC(C)NOCC(C)C
InChIInChI=1S/C8H19NO/c1-5-8(4)9-10-6-7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyILQXFNQTUOKFMN-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.96
Rot. Bonds5

About N-(2-methylpropoxy)butan-2-amine

N-(2-methylpropoxy)butan-2-amine (PubChem CID 82709503) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-(2-methylpropoxy)butan-2-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)butan-2-amine
PubChem CID82709503
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-(2-methylpropoxy)butan-2-amine
SMILESCCC(C)NOCC(C)C
InChIInChI=1S/C8H19NO/c1-5-8(4)9-10-6-7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyILQXFNQTUOKFMN-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)butan-2-amine?
The IUPAC name of N-(2-methylpropoxy)butan-2-amine (CID 82709503) is N-(2-methylpropoxy)butan-2-amine.
What is the SMILES notation for N-(2-methylpropoxy)butan-2-amine?
The canonical SMILES for N-(2-methylpropoxy)butan-2-amine is CCC(C)NOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)butan-2-amine?
The InChIKey is ILQXFNQTUOKFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-8(4)9-10-6-7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of N-(2-methylpropoxy)butan-2-amine?
N-(2-methylpropoxy)butan-2-amine has a molecular weight of 145.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)butan-2-amine is sourced from PubChem (CID 82709503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).