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

C17H31ClN2O2 — CID 119789464

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCC(C)CCOC1CCN(C(=O)C2C3CCC(C3)C2N)C1.Cl
InChIInChI=1S/C17H30N2O2.ClH/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;1H
InChIKeyWOFYWBMCGDFCGD-UHFFFAOYSA-N
MW330.90 g/mol
LogP2.45
Rot. Bonds5

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

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119789464) has the molecular formula C17H31ClN2O2 and a molecular weight of 330.90 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119789464
Molecular FormulaC17H31ClN2O2
Molecular Weight330.90 g/mol
Exact Mass330.21
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCC(C)CCOC1CCN(C(=O)C2C3CCC(C3)C2N)C1.Cl
InChIInChI=1S/C17H30N2O2.ClH/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;1H
InChIKeyWOFYWBMCGDFCGD-UHFFFAOYSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride (CID 119789464) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride is CC(C)CCOC1CCN(C(=O)C2C3CCC(C3)C2N)C1.Cl.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is WOFYWBMCGDFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2.ClH/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;1H.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 330.90 g/mol, XLogP of 2.45, 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;hydrochloride is sourced from PubChem (CID 119789464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).