N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide

C14H19ClN2 — CID 114256582

IUPACN'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide
SMILESCc1cc(Cl)ccc1/N=C(\N)C1CCCCC1
InChIInChI=1S/C14H19ClN2/c1-10-9-12(15)7-8-13(10)17-14(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17)
InChIKeyRDQKDUYGHMKMEZ-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.22
Rot. Bonds2

About N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide

N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide (PubChem CID 114256582) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide
PubChem CID114256582
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide
SMILESCc1cc(Cl)ccc1/N=C(\N)C1CCCCC1
InChIInChI=1S/C14H19ClN2/c1-10-9-12(15)7-8-13(10)17-14(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17)
InChIKeyRDQKDUYGHMKMEZ-UHFFFAOYSA-N
XLogP4.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.22
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'}

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Related Compounds

N'-(4-chloro-2-iodophenyl)cyclopropanecarboximidamide
CID 107638264
N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide
CID 63175680
N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide
CID 63175617
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide
CID 63178403
N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide
CID 3018069
N-(4-chloro-2-methylphenyl)butan-2-imine
CID 138749574
N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
CID 63178907
methyl N-(4-chloro-2-methylphenyl)ethanimidothioate
CID 163694304
N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide
CID 63178452
N'-naphthalen-1-ylcyclopentanecarboximidamide
CID 63173973
N'-naphthalen-2-ylcyclohexanecarboximidamide
CID 55158430

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide (CID 114256582) is N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide is Cc1cc(Cl)ccc1/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide?
The InChIKey is RDQKDUYGHMKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10-9-12(15)7-8-13(10)17-14(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17).
What are the key properties of N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide?
N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide has a molecular weight of 250.77 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide is sourced from PubChem (CID 114256582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).