3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide

C12H25N3O — CID 106914920

IUPAC3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C1CCCC1CN
InChIInChI=1S/C12H25N3O/c1-9(12(16)14-2)8-15(3)11-6-4-5-10(11)7-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyBTEUBWHUOJSBTD-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.43
Rot. Bonds5

About 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914920) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106914920
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C1CCCC1CN
InChIInChI=1S/C12H25N3O/c1-9(12(16)14-2)8-15(3)11-6-4-5-10(11)7-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyBTEUBWHUOJSBTD-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide (CID 106914920) is 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C1CCCC1CN.
What is the InChIKey of 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is BTEUBWHUOJSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(12(16)14-2)8-15(3)11-6-4-5-10(11)7-13/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).