[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone

C14H26N2O — CID 80587278

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(CN)(C(=O)N2CCC(C)(C)CC2)C1
InChIInChI=1S/C14H26N2O/c1-11-8-14(9-11,10-15)12(17)16-6-4-13(2,3)5-7-16/h11H,4-10,15H2,1-3H3
InChIKeyFRBBTXGRGAOJLZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds2

About [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone

[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 80587278) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID80587278
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(CN)(C(=O)N2CCC(C)(C)CC2)C1
InChIInChI=1S/C14H26N2O/c1-11-8-14(9-11,10-15)12(17)16-6-4-13(2,3)5-7-16/h11H,4-10,15H2,1-3H3
InChIKeyFRBBTXGRGAOJLZ-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone (CID 80587278) is [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone is CC1CC(CN)(C(=O)N2CCC(C)(C)CC2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is FRBBTXGRGAOJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-8-14(9-11,10-15)12(17)16-6-4-13(2,3)5-7-16/h11H,4-10,15H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 80587278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).