3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine

C22H50N2O — CID 160908929

IUPAC3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine
SMILESCCCN(CCC)CCC(C)(C)C.COCCN(C)CCC(C)(C)C
InChIInChI=1S/C12H27N.C10H23NO/c1-6-9-13(10-7-2)11-8-12(3,4)5;1-10(2,3)6-7-11(4)8-9-12-5/h6-11H2,1-5H3;6-9H2,1-5H3
InChIKeySQNBTMPIIVVJSO-UHFFFAOYSA-N
MW358.66 g/mol
LogP5.55
Rot. Bonds11

About 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine

3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 160908929) has the molecular formula C22H50N2O and a molecular weight of 358.66 g/mol. Its IUPAC name is 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine
PubChem CID160908929
Molecular FormulaC22H50N2O
Molecular Weight358.66 g/mol
Exact Mass358.39
IUPAC Name3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine
SMILESCCCN(CCC)CCC(C)(C)C.COCCN(C)CCC(C)(C)C
InChIInChI=1S/C12H27N.C10H23NO/c1-6-9-13(10-7-2)11-8-12(3,4)5;1-10(2,3)6-7-11(4)8-9-12-5/h6-11H2,1-5H3;6-9H2,1-5H3
InChIKeySQNBTMPIIVVJSO-UHFFFAOYSA-N
XLogP5.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.66
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine (CID 160908929) is 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine is CCCN(CCC)CCC(C)(C)C.COCCN(C)CCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is SQNBTMPIIVVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C10H23NO/c1-6-9-13(10-7-2)11-8-12(3,4)5;1-10(2,3)6-7-11(4)8-9-12-5/h6-11H2,1-5H3;6-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine?
3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 358.66 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 160908929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).