3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine

C12H27NO — CID 62456775

IUPAC3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
SMILESCCCNCC(OC(C)(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-7-8-13-9-11(10(2)3)14-12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyNMXMHFGIOZAJDO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds6

About 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine

3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine (PubChem CID 62456775) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
PubChem CID62456775
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
SMILESCCCNCC(OC(C)(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-7-8-13-9-11(10(2)3)14-12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyNMXMHFGIOZAJDO-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
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-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine (CID 62456775) is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine is CCCNCC(OC(C)(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine?
The InChIKey is NMXMHFGIOZAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-8-13-9-11(10(2)3)14-12(4,5)6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine?
3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine is sourced from PubChem (CID 62456775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).