N-[2-methyl-5-(methylamino)pentyl]acetamide

C9H20N2O — CID 162925431

IUPACN-[2-methyl-5-(methylamino)pentyl]acetamide
SMILESCNCCCC(C)CNC(C)=O
InChIInChI=1S/C9H20N2O/c1-8(5-4-6-10-3)7-11-9(2)12/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyLCOLJZRCXVDSFQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds6

About N-[2-methyl-5-(methylamino)pentyl]acetamide

N-[2-methyl-5-(methylamino)pentyl]acetamide (PubChem CID 162925431) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[2-methyl-5-(methylamino)pentyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylamino)pentyl]acetamide
PubChem CID162925431
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[2-methyl-5-(methylamino)pentyl]acetamide
SMILESCNCCCC(C)CNC(C)=O
InChIInChI=1S/C9H20N2O/c1-8(5-4-6-10-3)7-11-9(2)12/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyLCOLJZRCXVDSFQ-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

fluoromethane;N-[(2R)-2-methylhexyl]acetamide
CID 145149419
N,N',2-trimethylpentane-1,5-diamine
CID 18952778
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
N-(4-cyano-2-methylbutyl)acetamide
CID 122547945
N-(3-butoxy-2-methylpropyl)acetamide
CID 134356705
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
ethane;N-(2-methylpropyl)acetamide
CID 142232237
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N',2-dimethylpentane-1,5-diamine;methanol;propane
CID 143231168

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylamino)pentyl]acetamide?
The IUPAC name of N-[2-methyl-5-(methylamino)pentyl]acetamide (CID 162925431) is N-[2-methyl-5-(methylamino)pentyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-(methylamino)pentyl]acetamide?
The canonical SMILES for N-[2-methyl-5-(methylamino)pentyl]acetamide is CNCCCC(C)CNC(C)=O.
What is the InChIKey of N-[2-methyl-5-(methylamino)pentyl]acetamide?
The InChIKey is LCOLJZRCXVDSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(5-4-6-10-3)7-11-9(2)12/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-[2-methyl-5-(methylamino)pentyl]acetamide?
N-[2-methyl-5-(methylamino)pentyl]acetamide 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 N-[2-methyl-5-(methylamino)pentyl]acetamide is sourced from PubChem (CID 162925431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).