[2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride

C14H23ClN2O — CID 119633284

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H22N2O.ClH/c15-7-10-2-1-5-16(10)14(17)13-11-8-3-4-9(6-8)12(11)13;/h8-13H,1-7,15H2;1H
InChIKeyIJZOOMQSGGIIII-UHFFFAOYSA-N
MW270.80 g/mol
LogP1.65
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride (PubChem CID 119633284) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
PubChem CID119633284
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H22N2O.ClH/c15-7-10-2-1-5-16(10)14(17)13-11-8-3-4-9(6-8)12(11)13;/h8-13H,1-7,15H2;1H
InChIKeyIJZOOMQSGGIIII-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103805999
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119650863
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103807145
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate
CID 103913398
[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 119634302
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119632879
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119595332
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride (CID 119633284) is [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride is Cl.NCC1CCCN1C(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The InChIKey is IJZOOMQSGGIIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c15-7-10-2-1-5-16(10)14(17)13-11-8-3-4-9(6-8)12(11)13;/h8-13H,1-7,15H2;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride has a molecular weight of 270.80 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 [2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride is sourced from PubChem (CID 119633284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).