4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine

C14H31NO — CID 170120576

IUPAC4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine
SMILESCCC(C)OCCC(C)(C)N(C)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-9-12(2)16-11-10-14(6,7)15(8)13(3,4)5/h12H,9-11H2,1-8H3
InChIKeyHHDKDQWQFDERIN-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.70
Rot. Bonds6

About 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine

4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine (PubChem CID 170120576) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine
PubChem CID170120576
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine
SMILESCCC(C)OCCC(C)(C)N(C)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-9-12(2)16-11-10-14(6,7)15(8)13(3,4)5/h12H,9-11H2,1-8H3
InChIKeyHHDKDQWQFDERIN-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine?
The IUPAC name of 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine (CID 170120576) is 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine.
What is the SMILES notation for 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine?
The canonical SMILES for 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine is CCC(C)OCCC(C)(C)N(C)C(C)(C)C.
What is the InChIKey of 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine?
The InChIKey is HHDKDQWQFDERIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-9-12(2)16-11-10-14(6,7)15(8)13(3,4)5/h12H,9-11H2,1-8H3.
What are the key properties of 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine?
4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-tert-butyl-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 170120576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).