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

C14H18N2O — CID 143994164

IUPACN,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide
SMILESC=C1C=CC=C/C1=N\C(CC(=O)NC)=C(C)C
InChIInChI=1S/C14H18N2O/c1-10(2)13(9-14(17)15-4)16-12-8-6-5-7-11(12)3/h5-8H,3,9H2,1-2,4H3,(H,15,17)/b16-12+
InChIKeyAFZGVBKUIXLGBU-FOWTUZBSSA-N
MW230.31 g/mol
LogP2.54
Rot. Bonds3

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

N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide (PubChem CID 143994164) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide
PubChem CID143994164
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide
SMILESC=C1C=CC=C/C1=N\C(CC(=O)NC)=C(C)C
InChIInChI=1S/C14H18N2O/c1-10(2)13(9-14(17)15-4)16-12-8-6-5-7-11(12)3/h5-8H,3,9H2,1-2,4H3,(H,15,17)/b16-12+
InChIKeyAFZGVBKUIXLGBU-FOWTUZBSSA-N
XLogP2.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.54
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

2-(2H-benzimidazol-5-yl)-N-methylacetamide
CID 70416209
N-(6-imino-3-methylidenecyclohexa-1,4-dien-1-yl)-3-(propanoylamino)propanamide
CID 129156034
N'-[(E)-3-[(3Z)-3-ethylidene-4-iminocyclohexa-1,5-dien-1-yl]prop-2-enyl]-2-iminopropanediamide;molecular hydrogen
CID 143926214
N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane
CID 143994163
ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one
CID 170970648
5-ethyl-2,7-dimethyl-3H-azepine;N-methylacetamide
CID 177038243
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'-[(E)-3-[(3Z)-3-ethylidene-4-iminocyclohexa-1,5-dien-1-yl]prop-2-enyl]-2-iminopropanediamide
CID 143926215
(Z)-N-methyl-2-methylidene-5-methyliminohept-3-enamide
CID 162732222
(3E,5E)-2-imino-7-methyl-3-(methylamino)octa-3,5,7-trienamide
CID 177034738

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide?
The IUPAC name of N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide (CID 143994164) is N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide.
What is the SMILES notation for N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide?
The canonical SMILES for N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide is C=C1C=CC=C/C1=N\C(CC(=O)NC)=C(C)C.
What is the InChIKey of N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide?
The InChIKey is AFZGVBKUIXLGBU-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)13(9-14(17)15-4)16-12-8-6-5-7-11(12)3/h5-8H,3,9H2,1-2,4H3,(H,15,17)/b16-12+.
What are the key properties of N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide?
N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide has a molecular weight of 230.31 g/mol, XLogP of 2.54, 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 is sourced from PubChem (CID 143994164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).