(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone

C17H30N2O2 — CID 119789465

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
SMILESCC(C)CCOC1CCN(C(=O)C2C3CCC(C3)C2N)C1
InChIInChI=1S/C17H30N2O2/c1-11(2)6-8-21-14-5-7-19(10-14)17(20)15-12-3-4-13(9-12)16(15)18/h11-16H,3-10,18H2,1-2H3
InChIKeyYOEFFQFFHVELIV-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.02
Rot. Bonds5

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone (PubChem CID 119789465) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
PubChem CID119789465
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
SMILESCC(C)CCOC1CCN(C(=O)C2C3CCC(C3)C2N)C1
InChIInChI=1S/C17H30N2O2/c1-11(2)6-8-21-14-5-7-19(10-14)17(20)15-12-3-4-13(9-12)16(15)18/h11-16H,3-10,18H2,1-2H3
InChIKeyYOEFFQFFHVELIV-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119789464
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone;hydrochloride
CID 119743024
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781903
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119814328
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 120793668
[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119149844
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880091
N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-3-yl]methyl]acetamide
CID 119746028
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119896677
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119793015
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774183

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone (CID 119789465) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone is CC(C)CCOC1CCN(C(=O)C2C3CCC(C3)C2N)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone?
The InChIKey is YOEFFQFFHVELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)6-8-21-14-5-7-19(10-14)17(20)15-12-3-4-13(9-12)16(15)18/h11-16H,3-10,18H2,1-2H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone has a molecular weight of 294.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119789465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).