N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine

C12H25NO — CID 115718062

IUPACN-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(COC)C1CC1
InChIInChI=1S/C12H25NO/c1-4-10(5-2)8-13-12(9-14-3)11-6-7-11/h10-13H,4-9H2,1-3H3
InChIKeyBXBSWCRQOZIIJF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds8

About N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine

N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine (PubChem CID 115718062) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
PubChem CID115718062
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(COC)C1CC1
InChIInChI=1S/C12H25NO/c1-4-10(5-2)8-13-12(9-14-3)11-6-7-11/h10-13H,4-9H2,1-3H3
InChIKeyBXBSWCRQOZIIJF-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 81338401
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 103829362
2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 115890629
(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol
CID 104981008
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
[1-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]cyclopropyl]methanol
CID 81343057
N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722150
1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine
CID 114116027
1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
CID 107166673
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine (CID 115718062) is N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine is CCC(CC)CNC(COC)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine?
The InChIKey is BXBSWCRQOZIIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10(5-2)8-13-12(9-14-3)11-6-7-11/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine?
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 115718062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).