N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide

C11H18N2O — CID 76948154

IUPACN-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCCNC1CC1
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-11(14)13-9-8-12-10-6-7-10/h2-5,10,12H,6-9H2,1H3,(H,13,14)
InChIKeyGMBOBJPTYRFDAQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.99
Rot. Bonds6

About N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide

N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide (PubChem CID 76948154) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide
PubChem CID76948154
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCCNC1CC1
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-11(14)13-9-8-12-10-6-7-10/h2-5,10,12H,6-9H2,1H3,(H,13,14)
InChIKeyGMBOBJPTYRFDAQ-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.99
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylcyclohexyl)hexa-2,4-dienamide
CID 72689142
(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide
CID 110839216
N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide
CID 115301151
methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 55100390
3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
CID 76948159
N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 115569712
N-cyclohexylhexa-2,4-dienamide
CID 71382981
N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide
CID 76879325
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide
CID 43596541
(2E,4E)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide
CID 75408168

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide (CID 76948154) is N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide is CC=CC=CC(=O)NCCNC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide?
The InChIKey is GMBOBJPTYRFDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-4-5-11(14)13-9-8-12-10-6-7-10/h2-5,10,12H,6-9H2,1H3,(H,13,14).
What are the key properties of N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide?
N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide has a molecular weight of 194.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 76948154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).