N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide

C13H28N2O — CID 59112463

IUPACN-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C)CCC(=O)N(C)CC(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)9-14(5)8-7-13(16)15(6)10-12(3)4/h11-12H,7-10H2,1-6H3
InChIKeyPBDQLYAGJKGHJM-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.08
Rot. Bonds7

About N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide

N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 59112463) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID59112463
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C)CCC(=O)N(C)CC(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)9-14(5)8-7-13(16)15(6)10-12(3)4/h11-12H,7-10H2,1-6H3
InChIKeyPBDQLYAGJKGHJM-UHFFFAOYSA-N
XLogP2.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide (CID 59112463) is N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CN(C)CCC(=O)N(C)CC(C)C.
What is the InChIKey of N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is PBDQLYAGJKGHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)9-14(5)8-7-13(16)15(6)10-12(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide?
N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl(2-methylpropyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 59112463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).