N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide

C11H18N2O — CID 115301151

IUPACN-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(N)C1CC1
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-11(14)13-8-10(12)9-6-7-9/h2-5,9-10H,6-8,12H2,1H3,(H,13,14)
InChIKeyIOXZXZIEONDRAW-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.97
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide

N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide (PubChem CID 115301151) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide
PubChem CID115301151
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(N)C1CC1
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-11(14)13-8-10(12)9-6-7-9/h2-5,9-10H,6-8,12H2,1H3,(H,13,14)
InChIKeyIOXZXZIEONDRAW-UHFFFAOYSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide
CID 76879325
N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77055644
N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide
CID 76948154
propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate
CID 63765601
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
N-(2-amino-2-cyclopropylethyl)piperidine-1-carboxamide
CID 79154956
3-[(hexa-2,4-dienoylamino)methyl]-5-methylhexanoic acid
CID 77070699
(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide
CID 110465762
(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide
CID 81484728
N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide
CID 115282581
N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 113282148
(2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide
CID 134053198

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide (CID 115301151) is N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide is CC=CC=CC(=O)NCC(N)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide?
The InChIKey is IOXZXZIEONDRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-4-5-11(14)13-8-10(12)9-6-7-9/h2-5,9-10H,6-8,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide?
N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide has a molecular weight of 194.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide is sourced from PubChem (CID 115301151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).