3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide

C11H24N2O — CID 81072118

IUPAC3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)C(C)CC
InChIInChI=1S/C11H24N2O/c1-5-9(3)13(4)11(14)7-10(6-2)8-12/h9-10H,5-8,12H2,1-4H3
InChIKeyVUSGXCFADKNHFE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.62
Rot. Bonds6

About 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide

3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide (PubChem CID 81072118) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
PubChem CID81072118
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)C(C)CC
InChIInChI=1S/C11H24N2O/c1-5-9(3)13(4)11(14)7-10(6-2)8-12/h9-10H,5-8,12H2,1-4H3
InChIKeyVUSGXCFADKNHFE-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide (CID 81072118) is 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide is CCC(CN)CC(=O)N(C)C(C)CC.
What is the InChIKey of 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide?
The InChIKey is VUSGXCFADKNHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-9(3)13(4)11(14)7-10(6-2)8-12/h9-10H,5-8,12H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide?
3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide has a molecular weight of 200.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide is sourced from PubChem (CID 81072118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).