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

C10H23NO — CID 123406093

IUPAC4-butan-2-yloxy-N,2-dimethylbutan-2-amine
SMILESCCC(C)OCCC(C)(C)NC
InChIInChI=1S/C10H23NO/c1-6-9(2)12-8-7-10(3,4)11-5/h9,11H,6-8H2,1-5H3
InChIKeyZTLHDNCWCHHTPF-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds6

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

4-butan-2-yloxy-N,2-dimethylbutan-2-amine (PubChem CID 123406093) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-butan-2-yloxy-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-butan-2-yloxy-N,2-dimethylbutan-2-amine
PubChem CID123406093
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-butan-2-yloxy-N,2-dimethylbutan-2-amine
SMILESCCC(C)OCCC(C)(C)NC
InChIInChI=1S/C10H23NO/c1-6-9(2)12-8-7-10(3,4)11-5/h9,11H,6-8H2,1-5H3
InChIKeyZTLHDNCWCHHTPF-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N,2-dimethylbutan-2-amine?
The IUPAC name of 4-butan-2-yloxy-N,2-dimethylbutan-2-amine (CID 123406093) is 4-butan-2-yloxy-N,2-dimethylbutan-2-amine.
What is the SMILES notation for 4-butan-2-yloxy-N,2-dimethylbutan-2-amine?
The canonical SMILES for 4-butan-2-yloxy-N,2-dimethylbutan-2-amine is CCC(C)OCCC(C)(C)NC.
What is the InChIKey of 4-butan-2-yloxy-N,2-dimethylbutan-2-amine?
The InChIKey is ZTLHDNCWCHHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-9(2)12-8-7-10(3,4)11-5/h9,11H,6-8H2,1-5H3.
What are the key properties of 4-butan-2-yloxy-N,2-dimethylbutan-2-amine?
4-butan-2-yloxy-N,2-dimethylbutan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 123406093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).