(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone

C16H30N2O2 — CID 114829330

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCCCCC2C)C1(C)C
InChIInChI=1S/C16H30N2O2/c1-5-20-13-11-16(17,15(13,3)4)14(19)18-10-8-6-7-9-12(18)2/h12-13H,5-11,17H2,1-4H3
InChIKeyFNFXAKLMYQSORF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds3

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone (PubChem CID 114829330) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone
PubChem CID114829330
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCCCCC2C)C1(C)C
InChIInChI=1S/C16H30N2O2/c1-5-20-13-11-16(17,15(13,3)4)14(19)18-10-8-6-7-9-12(18)2/h12-13H,5-11,17H2,1-4H3
InChIKeyFNFXAKLMYQSORF-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
CID 114827769
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone
CID 114829028
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone
CID 114829856
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-methoxypiperidin-1-yl)methanone
CID 114828072
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone
CID 114829341
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methoxypiperidin-1-yl)methanone
CID 105055857
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-propylpiperazin-1-yl)methanone
CID 114827916
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 114829252
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114829508
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216933

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone (CID 114829330) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone is CCOC1CC(N)(C(=O)N2CCCCCC2C)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone?
The InChIKey is FNFXAKLMYQSORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-20-13-11-16(17,15(13,3)4)14(19)18-10-8-6-7-9-12(18)2/h12-13H,5-11,17H2,1-4H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 114829330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).