N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide

C11H20N2O — CID 43596541

IUPACN-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCCNC1CC1
InChIInChI=1S/C11H20N2O/c1-9(2)8-11(14)13-7-3-6-12-10-4-5-10/h8,10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyZSFHFKYTGRSIJQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide

N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide (PubChem CID 43596541) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide
PubChem CID43596541
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCCNC1CC1
InChIInChI=1S/C11H20N2O/c1-9(2)8-11(14)13-7-3-6-12-10-4-5-10/h8,10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyZSFHFKYTGRSIJQ-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
N-[3-(cyclopropylamino)propyl]but-3-enamide
CID 62677792
N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452
2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide
CID 112745062
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351
N-[3-(cyclopropylamino)propyl]-2-propylpentanamide
CID 82987984
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358
3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
CID 79110593
N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
CID 79152117
N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide
CID 76948154
N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
CID 106123870
3-[3-(cyclopropylamino)propylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266295

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide (CID 43596541) is N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide?
The InChIKey is ZSFHFKYTGRSIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)8-11(14)13-7-3-6-12-10-4-5-10/h8,10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide?
N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide is sourced from PubChem (CID 43596541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).