N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide

C18H24N2 — CID 123765844

IUPACN-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide
SMILESC=CC=CC(=C)N(C)/C(=N\CC(C)C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-6-7-11-16(4)20(5)18(19-14-15(2)3)17-12-9-8-10-13-17/h6-13,15H,1,4,14H2,2-3,5H3/b11-7?,19-18-
InChIKeyUKLQKUGAVSRDNS-DPODPGQASA-N
MW268.40 g/mol
LogP4.28
Rot. Bonds6

About N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide

N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide (PubChem CID 123765844) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide
PubChem CID123765844
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide
SMILESC=CC=CC(=C)N(C)/C(=N\CC(C)C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-6-7-11-16(4)20(5)18(19-14-15(2)3)17-12-9-8-10-13-17/h6-13,15H,1,4,14H2,2-3,5H3/b11-7?,19-18-
InChIKeyUKLQKUGAVSRDNS-DPODPGQASA-N
XLogP4.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.28
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,N'-dimethylbenzenecarboximidamide
CID 123787370
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
3-ethylidenehepta-4,6-dien-2-ylbenzene
CID 123397976
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
(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
[[[(3Z)-hexa-1,3,5-trien-2-yl]-methylamino]-methylamino]methanol
CID 174258657
(2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol
CID 134199726
(1Z,3Z,4E,6Z)-3-(chloromethylimino)-1-phenylnona-1,4,6,8-tetraen-1-amine;ethane
CID 145333868
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide?
The IUPAC name of N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide (CID 123765844) is N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide.
What is the SMILES notation for N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide?
The canonical SMILES for N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide is C=CC=CC(=C)N(C)/C(=N\CC(C)C)c1ccccc1.
What is the InChIKey of N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide?
The InChIKey is UKLQKUGAVSRDNS-DPODPGQASA-N. The full InChI is InChI=1S/C18H24N2/c1-6-7-11-16(4)20(5)18(19-14-15(2)3)17-12-9-8-10-13-17/h6-13,15H,1,4,14H2,2-3,5H3/b11-7?,19-18-.
What are the key properties of N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide?
N-hexa-1,3,5-trien-2-yl-N-methyl-N'-(2-methylpropyl)benzenecarboximidamide has a molecular weight of 268.40 g/mol, XLogP of 4.28, 6 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-methyl-N'-(2-methylpropyl)benzenecarboximidamide is sourced from PubChem (CID 123765844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).