N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide

C26H34N2 — CID 142162508

IUPACN'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide
SMILESC=C(C/C(=C(\C)C(=C)C)c1ccc(/N=C(/N)CCCC)cc1)C1=CCCC=C1
InChIInChI=1S/C26H34N2/c1-6-7-13-26(27)28-24-16-14-23(15-17-24)25(21(5)19(2)3)18-20(4)22-11-9-8-10-12-22/h9,11-12,14-17H,2,4,6-8,10,13,18H2,1,3,5H3,(H2,27,28)/b25-21-
InChIKeyDINBERRLUDPHTL-DAFNUICNSA-N
MW374.57 g/mol
LogP7.44
Rot. Bonds9

About N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide

N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide (PubChem CID 142162508) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide.

Molecular Properties

Compound NameN'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide
PubChem CID142162508
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC NameN'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide
SMILESC=C(C/C(=C(\C)C(=C)C)c1ccc(/N=C(/N)CCCC)cc1)C1=CCCC=C1
InChIInChI=1S/C26H34N2/c1-6-7-13-26(27)28-24-16-14-23(15-17-24)25(21(5)19(2)3)18-20(4)22-11-9-8-10-12-22/h9,11-12,14-17H,2,4,6-8,10,13,18H2,1,3,5H3,(H2,27,28)/b25-21-
InChIKeyDINBERRLUDPHTL-DAFNUICNSA-N
XLogP7.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.44
H-Bond Donors ≤ 51
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

1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene
CID 145339177
N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
CID 143494911
N-[4-(1-aminobutylideneamino)phenyl]acetamide
CID 63174235
N'-(4-aminophenyl)butanimidamide;ethane
CID 155749292
N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide
CID 21300079
N'-methylcyclohexa-1,5-diene-1-carboximidamide
CID 144914796
4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane
CID 145237054
2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene
CID 143141723
N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
CID 91142648
1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
CID 142890408
N-(cyclohexa-1,5-dien-1-ylmethyl)-3-(4-methylphenyl)-N-propylbut-3-en-2-amine
CID 135130009
[4-(cyclohexa-1,5-diene-1-carbonyl)phenyl] 2-methylprop-2-enoate
CID 69301341

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide?
The IUPAC name of N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide (CID 142162508) is N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide.
What is the SMILES notation for N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide?
The canonical SMILES for N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide is C=C(C/C(=C(\C)C(=C)C)c1ccc(/N=C(/N)CCCC)cc1)C1=CCCC=C1.
What is the InChIKey of N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide?
The InChIKey is DINBERRLUDPHTL-DAFNUICNSA-N. The full InChI is InChI=1S/C26H34N2/c1-6-7-13-26(27)28-24-16-14-23(15-17-24)25(21(5)19(2)3)18-20(4)22-11-9-8-10-12-22/h9,11-12,14-17H,2,4,6-8,10,13,18H2,1,3,5H3,(H2,27,28)/b25-21-.
What are the key properties of N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide?
N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide has a molecular weight of 374.57 g/mol, XLogP of 7.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3Z)-6-cyclohexa-1,5-dien-1-yl-2,3-dimethylhepta-1,3,6-trien-4-yl]phenyl]pentanimidamide is sourced from PubChem (CID 142162508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).