3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide

C13H27N3O — CID 106914843

IUPAC3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C1CC(C)CCC1CN
InChIInChI=1S/C13H27N3O/c1-10-4-5-11(9-14)12(8-10)16(3)7-6-13(17)15-2/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyJIWBESUJPFXRMA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

About 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide

3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide (PubChem CID 106914843) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide
PubChem CID106914843
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C1CC(C)CCC1CN
InChIInChI=1S/C13H27N3O/c1-10-4-5-11(9-14)12(8-10)16(3)7-6-13(17)15-2/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyJIWBESUJPFXRMA-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 106914850
2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
CID 43293723
3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide
CID 106915497
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 43374685
2-(aminomethyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 81058683
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide
CID 54985135
2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
CID 43374646
N-methyl-3-[methyl-(4-methylpyrrolidin-3-yl)amino]propanamide
CID 106918820
ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate
CID 63404510
2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 103822190
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol
CID 61424769
2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide
CID 61453015

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide (CID 106914843) is 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)C1CC(C)CCC1CN.
What is the InChIKey of 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide?
The InChIKey is JIWBESUJPFXRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-4-5-11(9-14)12(8-10)16(3)7-6-13(17)15-2/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide?
3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).