N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide

C15H18N2 — CID 123787370

IUPACN-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide
SMILESC=CC=CC(=C)N(C)/C(=N\C)c1ccccc1
InChIInChI=1S/C15H18N2/c1-5-6-10-13(2)17(4)15(16-3)14-11-8-7-9-12-14/h5-12H,1-2H2,3-4H3/b10-6?,16-15-
InChIKeyQCNYKZIXTNDVMF-QGTCFMHYSA-N
MW226.32 g/mol
LogP3.25
Rot. Bonds4

About N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide

N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide (PubChem CID 123787370) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide
PubChem CID123787370
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide
SMILESC=CC=CC(=C)N(C)/C(=N\C)c1ccccc1
InChIInChI=1S/C15H18N2/c1-5-6-10-13(2)17(4)15(16-3)14-11-8-7-9-12-14/h5-12H,1-2H2,3-4H3/b10-6?,16-15-
InChIKeyQCNYKZIXTNDVMF-QGTCFMHYSA-N
XLogP3.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide
CID 123765844
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894
(3Z)-5,6-dimethylhepta-1,3,5-triene;ethane;prop-1-en-2-ylbenzene
CID 143844790
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylidene-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide
CID 167044537
ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine
CID 178060886

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide?
The IUPAC name of N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide (CID 123787370) is N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide.
What is the SMILES notation for N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide?
The canonical SMILES for N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide is C=CC=CC(=C)N(C)/C(=N\C)c1ccccc1.
What is the InChIKey of N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide?
The InChIKey is QCNYKZIXTNDVMF-QGTCFMHYSA-N. The full InChI is InChI=1S/C15H18N2/c1-5-6-10-13(2)17(4)15(16-3)14-11-8-7-9-12-14/h5-12H,1-2H2,3-4H3/b10-6?,16-15-.
What are the key properties of N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide?
N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide has a molecular weight of 226.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide is sourced from PubChem (CID 123787370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).