3-methyl-2-(methylamino)-N-propan-2-ylbutanamide

C9H20N2O — CID 21365844

IUPAC3-methyl-2-(methylamino)-N-propan-2-ylbutanamide
SMILESCNC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C9H20N2O/c1-6(2)8(10-5)9(12)11-7(3)4/h6-8,10H,1-5H3,(H,11,12)
InChIKeyCUFUEOKDINHALM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.75
Rot. Bonds4

About 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide

3-methyl-2-(methylamino)-N-propan-2-ylbutanamide (PubChem CID 21365844) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(methylamino)-N-propan-2-ylbutanamide
PubChem CID21365844
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-methyl-2-(methylamino)-N-propan-2-ylbutanamide
SMILESCNC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C9H20N2O/c1-6(2)8(10-5)9(12)11-7(3)4/h6-8,10H,1-5H3,(H,11,12)
InChIKeyCUFUEOKDINHALM-UHFFFAOYSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide (CID 21365844) is 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide is CNC(C(=O)NC(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide?
The InChIKey is CUFUEOKDINHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6(2)8(10-5)9(12)11-7(3)4/h6-8,10H,1-5H3,(H,11,12).
What are the key properties of 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide?
3-methyl-2-(methylamino)-N-propan-2-ylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 21365844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).