N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide

C13H28N2O — CID 115188981

IUPACN-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide
SMILESCCC(CNC)C(=O)N(C)CCCC(C)C
InChIInChI=1S/C13H28N2O/c1-6-12(10-14-4)13(16)15(5)9-7-8-11(2)3/h11-12,14H,6-10H2,1-5H3
InChIKeyOVMYYADZYZNBKK-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.13
Rot. Bonds8

About N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide

N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide (PubChem CID 115188981) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide
PubChem CID115188981
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide
SMILESCCC(CNC)C(=O)N(C)CCCC(C)C
InChIInChI=1S/C13H28N2O/c1-6-12(10-14-4)13(16)15(5)9-7-8-11(2)3/h11-12,14H,6-10H2,1-5H3
InChIKeyOVMYYADZYZNBKK-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide
CID 115188783
N,2-dimethyl-3-(methylamino)-N-pentylpropanamide
CID 79195913
N-tert-butyl-N-methyl-2-(methylaminomethyl)butanamide
CID 115188782
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695
2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115179489
methyl 3-methyl-2-[methyl(4-methylpentyl)carbamoyl]butanoate
CID 115188094
N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-(methylaminomethyl)butanamide
CID 115188991
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
N-[2-(dimethylamino)ethyl]-2-ethyl-N-methylbutanamide
CID 110481330
N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
N-(3-methoxypropyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79202132

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide (CID 115188981) is N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide is CCC(CNC)C(=O)N(C)CCCC(C)C.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide?
The InChIKey is OVMYYADZYZNBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-12(10-14-4)13(16)15(5)9-7-8-11(2)3/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide?
N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.13, 8 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-(4-methylpentyl)butanamide is sourced from PubChem (CID 115188981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).