1-(2-methylpropoxy)-N-propylbutan-2-amine

C11H25NO — CID 62041041

IUPAC1-(2-methylpropoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COCC(C)C
InChIInChI=1S/C11H25NO/c1-5-7-12-11(6-2)9-13-8-10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyDHYMWFGGRGGVMU-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About 1-(2-methylpropoxy)-N-propylbutan-2-amine

1-(2-methylpropoxy)-N-propylbutan-2-amine (PubChem CID 62041041) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methylpropoxy)-N-propylbutan-2-amine
PubChem CID62041041
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(2-methylpropoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COCC(C)C
InChIInChI=1S/C11H25NO/c1-5-7-12-11(6-2)9-13-8-10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyDHYMWFGGRGGVMU-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-ethoxy-N-propylbutan-2-amine
CID 62040391
1-hexoxy-N-propylbutan-2-amine
CID 62039776
N-[3-(2-methylpropoxy)propyl]pentan-3-amine
CID 28681675
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
N-methyl-1-(2-methylpropoxy)pentan-2-amine
CID 62044307
1-ethoxy-4-ethyl-N-propylhexan-2-amine
CID 82922255
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
CID 63935309
3-propoxy-2-(propylamino)propan-1-ol
CID 64808128
4-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)butanenitrile
CID 106448768
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
N-methyl-1-[2-(methylamino)butoxy]butan-2-amine
CID 90079765

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(2-methylpropoxy)-N-propylbutan-2-amine (CID 62041041) is 1-(2-methylpropoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-methylpropoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-methylpropoxy)-N-propylbutan-2-amine is CCCNC(CC)COCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-N-propylbutan-2-amine?
The InChIKey is DHYMWFGGRGGVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-7-12-11(6-2)9-13-8-10(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-N-propylbutan-2-amine?
1-(2-methylpropoxy)-N-propylbutan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 62041041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).