2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide

C13H27N3O — CID 43374685

IUPAC2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
SMILESCC1CCC(CN)C(N(C)CC(=O)N(C)C)C1
InChIInChI=1S/C13H27N3O/c1-10-5-6-11(8-14)12(7-10)16(4)9-13(17)15(2)3/h10-12H,5-9,14H2,1-4H3
InChIKeyFESGJKDAPOGDRC-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.77
Rot. Bonds4

About 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide

2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 43374685) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
PubChem CID43374685
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
SMILESCC1CCC(CN)C(N(C)CC(=O)N(C)C)C1
InChIInChI=1S/C13H27N3O/c1-10-5-6-11(8-14)12(7-10)16(4)9-13(17)15(2)3/h10-12H,5-9,14H2,1-4H3
InChIKeyFESGJKDAPOGDRC-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide (CID 43374685) is 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide is CC1CCC(CN)C(N(C)CC(=O)N(C)C)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is FESGJKDAPOGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-5-6-11(8-14)12(7-10)16(4)9-13(17)15(2)3/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide?
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43374685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).