2-ethoxy-2-methyl-N-propylpentan-3-amine

C11H25NO — CID 116727014

IUPAC2-ethoxy-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)(C)OCC
InChIInChI=1S/C11H25NO/c1-6-9-12-10(7-2)11(4,5)13-8-3/h10,12H,6-9H2,1-5H3
InChIKeyJUDUEDZIFCRVKI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds7

About 2-ethoxy-2-methyl-N-propylpentan-3-amine

2-ethoxy-2-methyl-N-propylpentan-3-amine (PubChem CID 116727014) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-propylpentan-3-amine
PubChem CID116727014
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-ethoxy-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)(C)OCC
InChIInChI=1S/C11H25NO/c1-6-9-12-10(7-2)11(4,5)13-8-3/h10,12H,6-9H2,1-5H3
InChIKeyJUDUEDZIFCRVKI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-methyl-N-propylhept-5-yn-3-amine
CID 116727243
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096
2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine
CID 116727144
3-ethoxy-1-(furan-3-yl)-3-methyl-N-propylbutan-2-amine
CID 116727069
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
3-ethoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 116727125
1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 107309099
3-ethoxy-3-methyl-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 116727209
1-(2-bromo-5-fluorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 116727031
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760303
2-methoxy-2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79198392

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-propylpentan-3-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-propylpentan-3-amine (CID 116727014) is 2-ethoxy-2-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-propylpentan-3-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-propylpentan-3-amine is CCCNC(CC)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-N-propylpentan-3-amine?
The InChIKey is JUDUEDZIFCRVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-9-12-10(7-2)11(4,5)13-8-3/h10,12H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-N-propylpentan-3-amine?
2-ethoxy-2-methyl-N-propylpentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 116727014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).