2-[3-cyanopropyl(propan-2-yl)amino]acetamide

C9H17N3O — CID 60676698

IUPAC2-[3-cyanopropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCCC#N)CC(N)=O
InChIInChI=1S/C9H17N3O/c1-8(2)12(7-9(11)13)6-4-3-5-10/h8H,3-4,6-7H2,1-2H3,(H2,11,13)
InChIKeyFYGMPTNZKAAHBR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.49
Rot. Bonds6

About 2-[3-cyanopropyl(propan-2-yl)amino]acetamide

2-[3-cyanopropyl(propan-2-yl)amino]acetamide (PubChem CID 60676698) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[3-cyanopropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[3-cyanopropyl(propan-2-yl)amino]acetamide
PubChem CID60676698
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[3-cyanopropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCCC#N)CC(N)=O
InChIInChI=1S/C9H17N3O/c1-8(2)12(7-9(11)13)6-4-3-5-10/h8H,3-4,6-7H2,1-2H3,(H2,11,13)
InChIKeyFYGMPTNZKAAHBR-UHFFFAOYSA-N
XLogP0.49
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyanopropyl(propan-2-yl)amino]acetamide?
The IUPAC name of 2-[3-cyanopropyl(propan-2-yl)amino]acetamide (CID 60676698) is 2-[3-cyanopropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for 2-[3-cyanopropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for 2-[3-cyanopropyl(propan-2-yl)amino]acetamide is CC(C)N(CCCC#N)CC(N)=O.
What is the InChIKey of 2-[3-cyanopropyl(propan-2-yl)amino]acetamide?
The InChIKey is FYGMPTNZKAAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)12(7-9(11)13)6-4-3-5-10/h8H,3-4,6-7H2,1-2H3,(H2,11,13).
What are the key properties of 2-[3-cyanopropyl(propan-2-yl)amino]acetamide?
2-[3-cyanopropyl(propan-2-yl)amino]acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyanopropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 60676698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).