4-(1-cyanopropylamino)-N-cyclopropylbutanamide

C11H19N3O — CID 79394703

IUPAC4-(1-cyanopropylamino)-N-cyclopropylbutanamide
SMILESCCC(C#N)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H19N3O/c1-2-9(8-12)13-7-3-4-11(15)14-10-5-6-10/h9-10,13H,2-7H2,1H3,(H,14,15)
InChIKeySENUVWYREGQYOB-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds7

About 4-(1-cyanopropylamino)-N-cyclopropylbutanamide

4-(1-cyanopropylamino)-N-cyclopropylbutanamide (PubChem CID 79394703) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(1-cyanopropylamino)-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-(1-cyanopropylamino)-N-cyclopropylbutanamide
PubChem CID79394703
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(1-cyanopropylamino)-N-cyclopropylbutanamide
SMILESCCC(C#N)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H19N3O/c1-2-9(8-12)13-7-3-4-11(15)14-10-5-6-10/h9-10,13H,2-7H2,1H3,(H,14,15)
InChIKeySENUVWYREGQYOB-UHFFFAOYSA-N
XLogP0.94
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.94
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

2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401012
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
ethyl 2-[[4-(cyclopropylamino)-4-oxobutyl]amino]butanoate
CID 79394631
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259
N-cyclopropyl-4-(1-phenylpropylamino)butanamide
CID 79394506
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanopropylamino)-N-cyclopropylbutanamide?
The IUPAC name of 4-(1-cyanopropylamino)-N-cyclopropylbutanamide (CID 79394703) is 4-(1-cyanopropylamino)-N-cyclopropylbutanamide.
What is the SMILES notation for 4-(1-cyanopropylamino)-N-cyclopropylbutanamide?
The canonical SMILES for 4-(1-cyanopropylamino)-N-cyclopropylbutanamide is CCC(C#N)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-(1-cyanopropylamino)-N-cyclopropylbutanamide?
The InChIKey is SENUVWYREGQYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-9(8-12)13-7-3-4-11(15)14-10-5-6-10/h9-10,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-(1-cyanopropylamino)-N-cyclopropylbutanamide?
4-(1-cyanopropylamino)-N-cyclopropylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanopropylamino)-N-cyclopropylbutanamide is sourced from PubChem (CID 79394703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).