4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine

C13H29NO2 — CID 103490667

IUPAC4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine
SMILESCCOCC(C)OC(C)CCCNC(C)C
InChIInChI=1S/C13H29NO2/c1-6-15-10-13(5)16-12(4)8-7-9-14-11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyJBPGXOIISIKRPW-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.59
Rot. Bonds10

About 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine

4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine (PubChem CID 103490667) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine
PubChem CID103490667
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine
SMILESCCOCC(C)OC(C)CCCNC(C)C
InChIInChI=1S/C13H29NO2/c1-6-15-10-13(5)16-12(4)8-7-9-14-11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyJBPGXOIISIKRPW-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine (CID 103490667) is 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine is CCOCC(C)OC(C)CCCNC(C)C.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is JBPGXOIISIKRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-15-10-13(5)16-12(4)8-7-9-14-11(2)3/h11-14H,6-10H2,1-5H3.
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine?
4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 103490667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).