2-methyl-N-[2-(methylamino)ethyl]pentanamide

C9H20N2O — CID 62659666

IUPAC2-methyl-N-[2-(methylamino)ethyl]pentanamide
SMILESCCCC(C)C(=O)NCCNC
InChIInChI=1S/C9H20N2O/c1-4-5-8(2)9(12)11-7-6-10-3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyPIRUHPLHRLNPIJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds6

About 2-methyl-N-[2-(methylamino)ethyl]pentanamide

2-methyl-N-[2-(methylamino)ethyl]pentanamide (PubChem CID 62659666) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)ethyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)ethyl]pentanamide
PubChem CID62659666
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-N-[2-(methylamino)ethyl]pentanamide
SMILESCCCC(C)C(=O)NCCNC
InChIInChI=1S/C9H20N2O/c1-4-5-8(2)9(12)11-7-6-10-3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyPIRUHPLHRLNPIJ-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpentanoylamino)butanoic acid
CID 43209777
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-methylpentanehydrazide
CID 43183484
3-[methyl-[2-(2-methylpentanoylamino)ethylcarbamoyl]amino]propanoic acid
CID 122015297
N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
CID 59831421
2-methyl-N-nonyldecanamide
CID 141429494
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
2,4-dimethyl-1-(methylamino)heptan-3-one
CID 107890170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)ethyl]pentanamide?
The IUPAC name of 2-methyl-N-[2-(methylamino)ethyl]pentanamide (CID 62659666) is 2-methyl-N-[2-(methylamino)ethyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)ethyl]pentanamide?
The canonical SMILES for 2-methyl-N-[2-(methylamino)ethyl]pentanamide is CCCC(C)C(=O)NCCNC.
What is the InChIKey of 2-methyl-N-[2-(methylamino)ethyl]pentanamide?
The InChIKey is PIRUHPLHRLNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-5-8(2)9(12)11-7-6-10-3/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-N-[2-(methylamino)ethyl]pentanamide?
2-methyl-N-[2-(methylamino)ethyl]pentanamide has a molecular weight of 172.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)ethyl]pentanamide is sourced from PubChem (CID 62659666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).