[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C17H24N2O — CID 119538624

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCNCC1CCN(C(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C17H24N2O/c1-18-11-13-8-9-19(12-13)17(20)16-7-6-14-4-2-3-5-15(14)10-16/h6-7,10,13,18H,2-5,8-9,11-12H2,1H3
InChIKeyIGGSPAUQRYGQMN-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.25
Rot. Bonds3

About [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 119538624) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID119538624
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCNCC1CCN(C(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C17H24N2O/c1-18-11-13-8-9-19(12-13)17(20)16-7-6-14-4-2-3-5-15(14)10-16/h6-7,10,13,18H,2-5,8-9,11-12H2,1H3
InChIKeyIGGSPAUQRYGQMN-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397791
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
2,3-dihydro-1H-inden-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648165
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
(4-hydroxy-3-methylpiperidin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 114679797
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 125146017
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 63263866

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 119538624) is [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is CNCC1CCN(C(=O)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is IGGSPAUQRYGQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-11-13-8-9-19(12-13)17(20)16-7-6-14-4-2-3-5-15(14)10-16/h6-7,10,13,18H,2-5,8-9,11-12H2,1H3.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 272.39 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-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 119538624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).