2-(5-methylhexylamino)acetamide

C9H20N2O — CID 115325450

IUPAC2-(5-methylhexylamino)acetamide
SMILESCC(C)CCCCNCC(N)=O
InChIInChI=1S/C9H20N2O/c1-8(2)5-3-4-6-11-7-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyAGNWAQAGLBSVKF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds7

About 2-(5-methylhexylamino)acetamide

2-(5-methylhexylamino)acetamide (PubChem CID 115325450) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(5-methylhexylamino)acetamide.

Molecular Properties

Compound Name2-(5-methylhexylamino)acetamide
PubChem CID115325450
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(5-methylhexylamino)acetamide
SMILESCC(C)CCCCNCC(N)=O
InChIInChI=1S/C9H20N2O/c1-8(2)5-3-4-6-11-7-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyAGNWAQAGLBSVKF-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
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

2-(7-methyloctylamino)-N-propan-2-ylacetamide
CID 103604939
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid
CID 135241938
N-ethyl-N-methyl-2-(5-methylhexylamino)acetamide
CID 115325314
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid;hydrate
CID 170842960
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
2-(3-aminopropylamino)acetamide
CID 59908103
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
N-(2-chloroprop-2-enyl)-7-methyloctan-1-amine
CID 103604981

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexylamino)acetamide?
The IUPAC name of 2-(5-methylhexylamino)acetamide (CID 115325450) is 2-(5-methylhexylamino)acetamide.
What is the SMILES notation for 2-(5-methylhexylamino)acetamide?
The canonical SMILES for 2-(5-methylhexylamino)acetamide is CC(C)CCCCNCC(N)=O.
What is the InChIKey of 2-(5-methylhexylamino)acetamide?
The InChIKey is AGNWAQAGLBSVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)5-3-4-6-11-7-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 2-(5-methylhexylamino)acetamide?
2-(5-methylhexylamino)acetamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylamino)acetamide is sourced from PubChem (CID 115325450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).