3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide

C13H23N3O — CID 113411333

IUPAC3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCC1(CC#N)CC1
InChIInChI=1S/C13H23N3O/c1-3-16(4-2)12(17)5-10-15-11-13(6-7-13)8-9-14/h15H,3-8,10-11H2,1-2H3
InChIKeyPSIYWUKNTWLKML-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.53
Rot. Bonds8

About 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide

3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide (PubChem CID 113411333) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide
PubChem CID113411333
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCC1(CC#N)CC1
InChIInChI=1S/C13H23N3O/c1-3-16(4-2)12(17)5-10-15-11-13(6-7-13)8-9-14/h15H,3-8,10-11H2,1-2H3
InChIKeyPSIYWUKNTWLKML-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.53
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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Related Compounds

methyl 3-[[1-(cyanomethyl)cyclopropyl]methylamino]propanoate
CID 65480365
2-[1-[(pentylamino)methyl]cyclopropyl]acetonitrile
CID 65479944
2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile
CID 65480947
2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65496681
2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
CID 106841881
2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
CID 65498175
2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile
CID 106131749
3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
CID 113411328
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
CID 65482515

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide (CID 113411333) is 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCC1(CC#N)CC1.
What is the InChIKey of 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide?
The InChIKey is PSIYWUKNTWLKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16(4-2)12(17)5-10-15-11-13(6-7-13)8-9-14/h15H,3-8,10-11H2,1-2H3.
What are the key properties of 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide?
3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 113411333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).