[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone

C13H20N2O2 — CID 116639926

IUPAC[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCCC2CN)o1
InChIInChI=1S/C13H20N2O2/c1-10-6-7-12(17-10)13(16)15-8-4-2-3-5-11(15)9-14/h6-7,11H,2-5,8-9,14H2,1H3
InChIKeyYBXUUSRFQWFZIF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds2

About [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone

[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 116639926) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID116639926
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCCC2CN)o1
InChIInChI=1S/C13H20N2O2/c1-10-6-7-12(17-10)13(16)15-8-4-2-3-5-11(15)9-14/h6-7,11H,2-5,8-9,14H2,1H3
InChIKeyYBXUUSRFQWFZIF-UHFFFAOYSA-N
XLogP1.93
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 81483336
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 62467531
(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 82344192
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone (CID 116639926) is [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCCCCC2CN)o1.
What is the InChIKey of [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is YBXUUSRFQWFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-7-12(17-10)13(16)15-8-4-2-3-5-11(15)9-14/h6-7,11H,2-5,8-9,14H2,1H3.
What are the key properties of [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone?
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 116639926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).