N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide

C10H22N2O — CID 115188783

IUPACN-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide
SMILESCCC(CNC)C(=O)N(C)C(C)C
InChIInChI=1S/C10H22N2O/c1-6-9(7-11-4)10(13)12(5)8(2)3/h8-9,11H,6-7H2,1-5H3
InChIKeyMHQXJGBGOVQSGG-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.10
Rot. Bonds5

About N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide

N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide (PubChem CID 115188783) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide
PubChem CID115188783
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide
SMILESCCC(CNC)C(=O)N(C)C(C)C
InChIInChI=1S/C10H22N2O/c1-6-9(7-11-4)10(13)12(5)8(2)3/h8-9,11H,6-7H2,1-5H3
InChIKeyMHQXJGBGOVQSGG-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide (CID 115188783) is N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide is CCC(CNC)C(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide?
The InChIKey is MHQXJGBGOVQSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-9(7-11-4)10(13)12(5)8(2)3/h8-9,11H,6-7H2,1-5H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide?
N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 115188783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).