N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane

C16H24N2O — CID 143994163

IUPACN,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane
SMILESC=C1C=CC=C/C1=N\C(CC(=O)NC)=C(C)C.CC
InChIInChI=1S/C14H18N2O.C2H6/c1-10(2)13(9-14(17)15-4)16-12-8-6-5-7-11(12)3;1-2/h5-8H,3,9H2,1-2,4H3,(H,15,17);1-2H3/b16-12+;
InChIKeyMHMFDXHOSLIYRI-CLNHMMGSSA-N
MW260.38 g/mol
LogP3.57
Rot. Bonds3

About N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane

N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane (PubChem CID 143994163) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane.

Molecular Properties

Compound NameN,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane
PubChem CID143994163
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane
SMILESC=C1C=CC=C/C1=N\C(CC(=O)NC)=C(C)C.CC
InChIInChI=1S/C14H18N2O.C2H6/c1-10(2)13(9-14(17)15-4)16-12-8-6-5-7-11(12)3;1-2/h5-8H,3,9H2,1-2,4H3,(H,15,17);1-2H3/b16-12+;
InChIKeyMHMFDXHOSLIYRI-CLNHMMGSSA-N
XLogP3.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(6-imino-3-methylidenecyclohexa-1,4-dien-1-yl)-3-(propanoylamino)propanamide
CID 129156034
ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one
CID 170970513
3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one
CID 73448527
3-[[3-(diethylamino)propylamino]methyl]-7-methyl-3H-quinolin-2-one
CID 74686682
N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide
CID 143994164

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane?
The IUPAC name of N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane (CID 143994163) is N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane.
What is the SMILES notation for N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane?
The canonical SMILES for N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane is C=C1C=CC=C/C1=N\C(CC(=O)NC)=C(C)C.CC.
What is the InChIKey of N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane?
The InChIKey is MHMFDXHOSLIYRI-CLNHMMGSSA-N. The full InChI is InChI=1S/C14H18N2O.C2H6/c1-10(2)13(9-14(17)15-4)16-12-8-6-5-7-11(12)3;1-2/h5-8H,3,9H2,1-2,4H3,(H,15,17);1-2H3/b16-12+;.
What are the key properties of N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane?
N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane has a molecular weight of 260.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane is sourced from PubChem (CID 143994163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).