N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide

C12H20N2O — CID 115282581

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C12H20N2O/c1-3-4-5-6-11(15)14-12(2,9-13)10-7-8-10/h3-6,10H,7-9,13H2,1-2H3,(H,14,15)
InChIKeyMMPNGJAWFMAWPY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.36
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide

N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide (PubChem CID 115282581) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide
PubChem CID115282581
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C12H20N2O/c1-3-4-5-6-11(15)14-12(2,9-13)10-7-8-10/h3-6,10H,7-9,13H2,1-2H3,(H,14,15)
InChIKeyMMPNGJAWFMAWPY-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.36
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-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide
CID 115282583
1-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclopropylurea
CID 115307810
1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea
CID 115307789
N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide
CID 77046922
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(diethylamino)acetamide
CID 119572571
N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide
CID 81486841
N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103806938
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
N'-(1-amino-2-cyclopropylpropan-2-yl)-N-propan-2-ylpentanediamide;hydrochloride
CID 119573556
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide (CID 115282581) is N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide is CC=CC=CC(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide?
The InChIKey is MMPNGJAWFMAWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-6-11(15)14-12(2,9-13)10-7-8-10/h3-6,10H,7-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide?
N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide has a molecular weight of 208.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 115282581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).