N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine

C11H25NO — CID 21355647

IUPACN-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOCCN(CCC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-10(2)6-7-12(11(3)4)8-9-13-5/h10-11H,6-9H2,1-5H3
InChIKeyHIKLHCYDFWCHDR-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds7

About N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine

N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 21355647) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID21355647
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOCCN(CCC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-10(2)6-7-12(11(3)4)8-9-13-5/h10-11H,6-9H2,1-5H3
InChIKeyHIKLHCYDFWCHDR-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 21355647) is N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine is COCCN(CCC(C)C)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is HIKLHCYDFWCHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)6-7-12(11(3)4)8-9-13-5/h10-11H,6-9H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 21355647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).