1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine

C12H25NO — CID 116723204

IUPAC1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(C1CC1)C(N)C(CC)CC
InChIInChI=1S/C12H25NO/c1-4-9(5-2)11(13)12(14-6-3)10-7-8-10/h9-12H,4-8,13H2,1-3H3
InChIKeyYNKWTJSNTPOVGH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds7

About 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine

1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine (PubChem CID 116723204) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine
PubChem CID116723204
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(C1CC1)C(N)C(CC)CC
InChIInChI=1S/C12H25NO/c1-4-9(5-2)11(13)12(14-6-3)10-7-8-10/h9-12H,4-8,13H2,1-3H3
InChIKeyYNKWTJSNTPOVGH-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-ethoxy-3,3-dimethylbutan-2-amine
CID 116723219
1-cyclopropyl-1-ethoxynonan-2-amine
CID 116723047
1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine
CID 107896950
1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine
CID 114284903
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276
1-cyclobutyl-2-cyclopropyl-2-ethoxyethanol
CID 116712819
2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116723225
1-cyclopropyl-1-ethoxytetradecan-2-ol
CID 116712966
1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
CID 116712870
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
(1-cyclohexyl-2-cyclopropyl-2-ethoxyethyl)hydrazine
CID 105273087
2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol
CID 116712860

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine (CID 116723204) is 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine is CCOC(C1CC1)C(N)C(CC)CC.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine?
The InChIKey is YNKWTJSNTPOVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-9(5-2)11(13)12(14-6-3)10-7-8-10/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine?
1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine is sourced from PubChem (CID 116723204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).