3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen

C11H22N2O — CID 142136374

IUPAC3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
SMILESC=C/C=C(\C=C)NC(=O)CCNCC.[H][H].[H][H]
InChIInChI=1S/C11H18N2O.2H2/c1-4-7-10(5-2)13-11(14)8-9-12-6-3;;/h4-5,7,12H,1-2,6,8-9H2,3H3,(H,13,14);2*1H/b10-7+;;
InChIKeyVPNIQAYWVITFSP-WRQJSNHTSA-N
MW198.31 g/mol
LogP1.85
Rot. Bonds7

About 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen

3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen (PubChem CID 142136374) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
PubChem CID142136374
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
SMILESC=C/C=C(\C=C)NC(=O)CCNCC.[H][H].[H][H]
InChIInChI=1S/C11H18N2O.2H2/c1-4-7-10(5-2)13-11(14)8-9-12-6-3;;/h4-5,7,12H,1-2,6,8-9H2,3H3,(H,13,14);2*1H/b10-7+;;
InChIKeyVPNIQAYWVITFSP-WRQJSNHTSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768458
ethane;4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768468
4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768469
N'-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]-N-methylpropanediamide
CID 143768642
N'-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-N-methylpropanediamide
CID 143768818
N'-[(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-yl]-N-methylpropanediamide
CID 143768920
N-[(1Z,3E,5Z)-2-fluoro-1-(trimethyl-lambda4-sulfanyl)hepta-1,3,5-trien-4-yl]-3-(methylamino)propanamide
CID 169834907
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-2,2-dimethylpropanamide
CID 88243226
N-[(3Z,5E)-5-(methylamino)hepta-1,3,5-trien-2-yl]acetamide
CID 88356988
N-[(E)-4-(prop-1-en-2-ylamino)but-2-enyl]acetamide
CID 89227881
N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide
CID 89278168
N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide
CID 89341013

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen?
The IUPAC name of 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen (CID 142136374) is 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen.
What is the SMILES notation for 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen?
The canonical SMILES for 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen is C=C/C=C(\C=C)NC(=O)CCNCC.[H][H].[H][H].
What is the InChIKey of 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen?
The InChIKey is VPNIQAYWVITFSP-WRQJSNHTSA-N. The full InChI is InChI=1S/C11H18N2O.2H2/c1-4-7-10(5-2)13-11(14)8-9-12-6-3;;/h4-5,7,12H,1-2,6,8-9H2,3H3,(H,13,14);2*1H/b10-7+;;.
What are the key properties of 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen?
3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen has a molecular weight of 198.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 142136374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).