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

C16H28N2O — CID 119781903

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)CC1CCN(C(=O)C2C3CCC(C3)C2N)C1
InChIInChI=1S/C16H28N2O/c1-10(2)7-11-5-6-18(9-11)16(19)14-12-3-4-13(8-12)15(14)17/h10-15H,3-9,17H2,1-2H3
InChIKeyUFSSCGGJLIOXPP-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.25
Rot. Bonds3

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

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone (PubChem CID 119781903) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
PubChem CID119781903
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)CC1CCN(C(=O)C2C3CCC(C3)C2N)C1
InChIInChI=1S/C16H28N2O/c1-10(2)7-11-5-6-18(9-11)16(19)14-12-3-4-13(8-12)15(14)17/h10-15H,3-9,17H2,1-2H3
InChIKeyUFSSCGGJLIOXPP-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120991436
(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-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 119789465
(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)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119896677
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894699
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
(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)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605196
[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176610704
N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-3-yl]methyl]acetamide
CID 119746028

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone (CID 119781903) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone is CC(C)CC1CCN(C(=O)C2C3CCC(C3)C2N)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The InChIKey is UFSSCGGJLIOXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(2)7-11-5-6-18(9-11)16(19)14-12-3-4-13(8-12)15(14)17/h10-15H,3-9,17H2,1-2H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone has a molecular weight of 264.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119781903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).