cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine

C11H23NO — CID 95241171

IUPACcis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCN[C@@H]1C[C@H](OCC)C1(C)C
InChIInChI=1S/C11H23NO/c1-5-7-12-9-8-10(13-6-2)11(9,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyLWQXKQVCJVERMY-ZJUUUORDSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine

cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 95241171) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID95241171
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Namecis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCN[C@@H]1C[C@H](OCC)C1(C)C
InChIInChI=1S/C11H23NO/c1-5-7-12-9-8-10(13-6-2)11(9,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyLWQXKQVCJVERMY-ZJUUUORDSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
3-ethoxy-2,2-dimethyl-N-(2-prop-2-ynylsulfanylethyl)cyclobutan-1-amine
CID 115906363

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 95241171) is cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCN[C@@H]1C[C@H](OCC)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is LWQXKQVCJVERMY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-12-9-8-10(13-6-2)11(9,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine?
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 95241171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).