2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine

C11H25NO — CID 62443383

IUPAC2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OCC(C)C
InChIInChI=1S/C11H25NO/c1-6-11(7-12-10(4)5)13-8-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyNXFSPIRSSWRJBI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds7

About 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine

2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62443383) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
PubChem CID62443383
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OCC(C)C
InChIInChI=1S/C11H25NO/c1-6-11(7-12-10(4)5)13-8-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyNXFSPIRSSWRJBI-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropoxy)-N-propylbutan-1-amine
CID 62443382
N-propan-2-yl-2-propan-2-yloxybutan-1-amine
CID 62455206
2-phenylmethoxy-N-propan-2-ylbutan-1-amine
CID 62446151
2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227914
2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine
CID 62444537
3-methoxy-N-propan-2-yl-2-sulfanyloxypropan-1-amine
CID 135280864
2-methyl-1-pentan-3-yloxybutane
CID 23377308
N-propan-2-yl-2-prop-2-enoxypentan-1-amine
CID 83045872
N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
CID 106449904

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine (CID 62443383) is 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is NXFSPIRSSWRJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(7-12-10(4)5)13-8-9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62443383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).