[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride

C13H23ClN2O — CID 119485245

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2C3CCCCC32)C1
InChIInChI=1S/C13H22N2O.ClH/c14-7-9-5-6-15(8-9)13(16)12-10-3-1-2-4-11(10)12;/h9-12H,1-8,14H2;1H
InChIKeyRPYPAJBWOTXRQN-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.65
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride

[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride (PubChem CID 119485245) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
PubChem CID119485245
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2C3CCCCC32)C1
InChIInChI=1S/C13H22N2O.ClH/c14-7-9-5-6-15(8-9)13(16)12-10-3-1-2-4-11(10)12;/h9-12H,1-8,14H2;1H
InChIKeyRPYPAJBWOTXRQN-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride with MolForge

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
7-bicyclo[4.1.0]heptanyl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340532
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540418
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563
[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
CID 120727386
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
[3-(aminomethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595887
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 97100937

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride (CID 119485245) is [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)C2C3CCCCC32)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride?
The InChIKey is RPYPAJBWOTXRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c14-7-9-5-6-15(8-9)13(16)12-10-3-1-2-4-11(10)12;/h9-12H,1-8,14H2;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride is sourced from PubChem (CID 119485245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).