2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide

C11H23N3O — CID 43374646

IUPAC2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C1CCCCC1CN
InChIInChI=1S/C11H23N3O/c1-13-11(15)8-14(2)10-6-4-3-5-9(10)7-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyZYOCCFHCFUCRFC-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds4

About 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide

2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide (PubChem CID 43374646) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
PubChem CID43374646
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C1CCCCC1CN
InChIInChI=1S/C11H23N3O/c1-13-11(15)8-14(2)10-6-4-3-5-9(10)7-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyZYOCCFHCFUCRFC-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide (CID 43374646) is 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)C1CCCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide?
The InChIKey is ZYOCCFHCFUCRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13-11(15)8-14(2)10-6-4-3-5-9(10)7-12/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide?
2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).