N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide

C14H19ClN2 — CID 142480219

IUPACN-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide
SMILESC=CN(/C=N/C)CCCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2/c1-3-17(12-16-2)11-5-4-6-13-7-9-14(15)10-8-13/h3,7-10,12H,1,4-6,11H2,2H3/b16-12+
InChIKeyNYFWCHRZXXHPIZ-FOWTUZBSSA-N
MW250.77 g/mol
LogP3.77
Rot. Bonds7

About N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide

N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide (PubChem CID 142480219) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide
PubChem CID142480219
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide
SMILESC=CN(/C=N/C)CCCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2/c1-3-17(12-16-2)11-5-4-6-13-7-9-14(15)10-8-13/h3,7-10,12H,1,4-6,11H2,2H3/b16-12+
InChIKeyNYFWCHRZXXHPIZ-FOWTUZBSSA-N
XLogP3.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbutan-1-amine
CID 70587646
N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide
CID 142157009
4-[4-[ethenyl-(methyldiazenyl)amino]butyl]phenol
CID 142108532
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide
CID 132967057
1-(10-bromodecyl)-4-chlorobenzene
CID 10782757
6-(4-chlorophenyl)hex-1-en-3-one
CID 145267913
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
1-chloro-4-[2-(4-pent-4-enylphenyl)ethynyl]benzene
CID 139750869
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
trichloro-[4-(4-chlorophenyl)butyl]silane
CID 69458411

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide?
The IUPAC name of N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide (CID 142480219) is N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide?
The canonical SMILES for N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide is C=CN(/C=N/C)CCCCc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide?
The InChIKey is NYFWCHRZXXHPIZ-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-3-17(12-16-2)11-5-4-6-13-7-9-14(15)10-8-13/h3,7-10,12H,1,4-6,11H2,2H3/b16-12+.
What are the key properties of N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide?
N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide has a molecular weight of 250.77 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)butyl]-N-ethenyl-N'-methylmethanimidamide is sourced from PubChem (CID 142480219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).