2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide

C14H15ClN2 — CID 142992070

IUPAC2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide
SMILESC=C(/C=C\C=C/C)/N=C(\N)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2/c1-3-4-5-8-11(2)17-14(16)12-9-6-7-10-13(12)15/h3-10H,2H2,1H3,(H2,16,17)/b4-3-,8-5-
InChIKeyMJTASSBLFHKFHP-UBNNFMAXSA-N
MW246.74 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide

2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide (PubChem CID 142992070) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide
PubChem CID142992070
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide
SMILESC=C(/C=C\C=C/C)/N=C(\N)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2/c1-3-4-5-8-11(2)17-14(16)12-9-6-7-10-13(12)15/h3-10H,2H2,1H3,(H2,16,17)/b4-3-,8-5-
InChIKeyMJTASSBLFHKFHP-UBNNFMAXSA-N
XLogP3.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.69
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

N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine
CID 144989648
2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
CID 110209427
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate
CID 82482108
(E)-1-(2-chlorophenyl)but-2-en-1-one
CID 6158987
2-chlorobenzenecarbothioamide
CID 139147259
(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide
CID 47101745
N'-methyl-2-[[(3E)-penta-1,3-dien-2-yl]amino]benzenecarboximidamide
CID 89091558
2-penta-1,3-dien-2-ylphenol
CID 123148511
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
2-chloro-N'-diethoxyphosphorylbenzenecarboximidamide
CID 165350563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide (CID 142992070) is 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide is C=C(/C=C\C=C/C)/N=C(\N)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide?
The InChIKey is MJTASSBLFHKFHP-UBNNFMAXSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-3-4-5-8-11(2)17-14(16)12-9-6-7-10-13(12)15/h3-10H,2H2,1H3,(H2,16,17)/b4-3-,8-5-.
What are the key properties of 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide?
2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide has a molecular weight of 246.74 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide is sourced from PubChem (CID 142992070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).