3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide

C15H32N2O — CID 79469974

IUPAC3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
SMILESCCC(C)CN(CC)C(=O)CC(CN)CC(C)C
InChIInChI=1S/C15H32N2O/c1-6-13(5)11-17(7-2)15(18)9-14(10-16)8-12(3)4/h12-14H,6-11,16H2,1-5H3
InChIKeyRWFDIZAEVMLUAT-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.89
Rot. Bonds9

About 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide

3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide (PubChem CID 79469974) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
PubChem CID79469974
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
SMILESCCC(C)CN(CC)C(=O)CC(CN)CC(C)C
InChIInChI=1S/C15H32N2O/c1-6-13(5)11-17(7-2)15(18)9-14(10-16)8-12(3)4/h12-14H,6-11,16H2,1-5H3
InChIKeyRWFDIZAEVMLUAT-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide?
The IUPAC name of 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide (CID 79469974) is 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide is CCC(C)CN(CC)C(=O)CC(CN)CC(C)C.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide?
The InChIKey is RWFDIZAEVMLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-13(5)11-17(7-2)15(18)9-14(10-16)8-12(3)4/h12-14H,6-11,16H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide?
3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide has a molecular weight of 256.43 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide is sourced from PubChem (CID 79469974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).