2-[(4-cyano-4-methylpentyl)amino]acetamide

C9H17N3O — CID 65256262

IUPAC2-[(4-cyano-4-methylpentyl)amino]acetamide
SMILESCC(C)(C#N)CCCNCC(N)=O
InChIInChI=1S/C9H17N3O/c1-9(2,7-10)4-3-5-12-6-8(11)13/h12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyPYZJHOGBDBYCTG-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.39
Rot. Bonds6

About 2-[(4-cyano-4-methylpentyl)amino]acetamide

2-[(4-cyano-4-methylpentyl)amino]acetamide (PubChem CID 65256262) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(4-cyano-4-methylpentyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-cyano-4-methylpentyl)amino]acetamide
PubChem CID65256262
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[(4-cyano-4-methylpentyl)amino]acetamide
SMILESCC(C)(C#N)CCCNCC(N)=O
InChIInChI=1S/C9H17N3O/c1-9(2,7-10)4-3-5-12-6-8(11)13/h12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyPYZJHOGBDBYCTG-UHFFFAOYSA-N
XLogP0.39
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
3-[2-[(4-cyano-4-methylpentyl)amino]ethyl]-1,1-dimethylurea
CID 83121552
3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
CID 113411328
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
2,2-dimethyl-5-(2-methylsulfonylethylamino)pentanenitrile
CID 65253811
5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
CID 65254266
2-(3-aminopropylamino)acetamide
CID 59908103
5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile
CID 114331783
2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
CID 65257303
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-4-methylpentyl)amino]acetamide?
The IUPAC name of 2-[(4-cyano-4-methylpentyl)amino]acetamide (CID 65256262) is 2-[(4-cyano-4-methylpentyl)amino]acetamide.
What is the SMILES notation for 2-[(4-cyano-4-methylpentyl)amino]acetamide?
The canonical SMILES for 2-[(4-cyano-4-methylpentyl)amino]acetamide is CC(C)(C#N)CCCNCC(N)=O.
What is the InChIKey of 2-[(4-cyano-4-methylpentyl)amino]acetamide?
The InChIKey is PYZJHOGBDBYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,7-10)4-3-5-12-6-8(11)13/h12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 2-[(4-cyano-4-methylpentyl)amino]acetamide?
2-[(4-cyano-4-methylpentyl)amino]acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-4-methylpentyl)amino]acetamide is sourced from PubChem (CID 65256262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).