N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine

C12H25NO — CID 103561829

IUPACN-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine
SMILESCCOCC(C)NC1CC(C(C)C)C1
InChIInChI=1S/C12H25NO/c1-5-14-8-10(4)13-12-6-11(7-12)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyIPEYGMRYLWWFPV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine

N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561829) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561829
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine
SMILESCCOCC(C)NC1CC(C(C)C)C1
InChIInChI=1S/C12H25NO/c1-5-14-8-10(4)13-12-6-11(7-12)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyIPEYGMRYLWWFPV-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 64501211
N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 63278202
N-[(4S)-4-fluoro-3-propan-2-ylhexyl]oxetan-3-amine
CID 137537142
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-3-amine
CID 63827134
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 65503629
1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 103082660
N-[2-(2,2-difluoroethoxy)ethyl]-5-methylheptan-3-amine
CID 103082743
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 103561942
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103578519
1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 115713526
1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 115713528
1-cyclobutyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 116325159

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine (CID 103561829) is N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine is CCOCC(C)NC1CC(C(C)C)C1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is IPEYGMRYLWWFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-14-8-10(4)13-12-6-11(7-12)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine?
N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103561829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).