N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine

C13H29NO2 — CID 103490581

IUPACN-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine
SMILESCCOCC(C)OC(CC)CNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-7-12(9-14-13(4,5)6)16-11(3)10-15-8-2/h11-12,14H,7-10H2,1-6H3
InChIKeySFNKYWLQHLBRFD-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.59
Rot. Bonds8

About N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine

N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine (PubChem CID 103490581) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine
PubChem CID103490581
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine
SMILESCCOCC(C)OC(CC)CNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-7-12(9-14-13(4,5)6)16-11(3)10-15-8-2/h11-12,14H,7-10H2,1-6H3
InChIKeySFNKYWLQHLBRFD-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine (CID 103490581) is N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine is CCOCC(C)OC(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine?
The InChIKey is SFNKYWLQHLBRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-12(9-14-13(4,5)6)16-11(3)10-15-8-2/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine?
N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine is sourced from PubChem (CID 103490581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).