(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride

C16H31Cl2N3O — CID 119896677

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCCN(C)CC1CCN(C(=O)C2C3CCC(C3)C2N)C1.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-3-18(2)9-11-6-7-19(10-11)16(20)14-12-4-5-13(8-12)15(14)17;;/h11-15H,3-10,17H2,1-2H3;2*1H
InChIKeyZEHMFXDMJGBNJJ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.00
Rot. Bonds4

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 119896677) has the molecular formula C16H31Cl2N3O and a molecular weight of 352.35 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
PubChem CID119896677
Molecular FormulaC16H31Cl2N3O
Molecular Weight352.35 g/mol
Exact Mass351.18
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCCN(C)CC1CCN(C(=O)C2C3CCC(C3)C2N)C1.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-3-18(2)9-11-6-7-19(10-11)16(20)14-12-4-5-13(8-12)15(14)17;;/h11-15H,3-10,17H2,1-2H3;2*1H
InChIKeyZEHMFXDMJGBNJJ-UHFFFAOYSA-N
XLogP2.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119814328
(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-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894699
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 119755021
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605196
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-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119789464
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879438
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774183
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119733535
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride (CID 119896677) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride is CCN(C)CC1CCN(C(=O)C2C3CCC(C3)C2N)C1.Cl.Cl.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride?
The InChIKey is ZEHMFXDMJGBNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.2ClH/c1-3-18(2)9-11-6-7-19(10-11)16(20)14-12-4-5-13(8-12)15(14)17;;/h11-15H,3-10,17H2,1-2H3;2*1H.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 352.35 g/mol, XLogP of 2.00, 4 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-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119896677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).