N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine

C12H27NO — CID 21030136

IUPACN-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCN(CCOC)CCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-8-13(10-11-14-5)9-7-12(2,3)4/h6-11H2,1-5H3
InChIKeyZEHYAJSFHWUZHA-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds7

About N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine

N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 21030136) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID21030136
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCN(CCOC)CCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-8-13(10-11-14-5)9-7-12(2,3)4/h6-11H2,1-5H3
InChIKeyZEHYAJSFHWUZHA-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine (CID 21030136) is N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine is CCCN(CCOC)CCC(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is ZEHYAJSFHWUZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-8-13(10-11-14-5)9-7-12(2,3)4/h6-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine?
N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 21030136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).