trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine

C16H29N3O — CID 97336063

IUPACtrans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCCO[C@@H]1C[C@@H](NCCc2c(C)nn(C)c2C)C1(C)C
InChIInChI=1S/C16H29N3O/c1-7-20-15-10-14(16(15,4)5)17-9-8-13-11(2)18-19(6)12(13)3/h14-15,17H,7-10H2,1-6H3/t14-,15-/m1/s1
InChIKeyPOWJZXYEBFYUSJ-HUUCEWRRSA-N
MW279.43 g/mol
LogP2.37
Rot. Bonds6

About trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine

trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 97336063) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine
PubChem CID97336063
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Nametrans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCCO[C@@H]1C[C@@H](NCCc2c(C)nn(C)c2C)C1(C)C
InChIInChI=1S/C16H29N3O/c1-7-20-15-10-14(16(15,4)5)17-9-8-13-11(2)18-19(6)12(13)3/h14-15,17H,7-10H2,1-6H3/t14-,15-/m1/s1
InChIKeyPOWJZXYEBFYUSJ-HUUCEWRRSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine with MolForge

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Related Compounds

2,2-dimethyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutan-1-amine
CID 66352052
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 109390407
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 103921823
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 64850742
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 64852708
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64853256
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine (CID 97336063) is trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine is CCO[C@@H]1C[C@@H](NCCc2c(C)nn(C)c2C)C1(C)C.
What is the InChIKey of trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is POWJZXYEBFYUSJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-20-15-10-14(16(15,4)5)17-9-8-13-11(2)18-19(6)12(13)3/h14-15,17H,7-10H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 97336063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).