N'-amino-N-(4-hexylphenyl)iminomethanimidamide

C13H20N4 — CID 91313473

IUPACN'-amino-N-(4-hexylphenyl)iminomethanimidamide
SMILESCCCCCCc1ccc(/N=N/C=NN)cc1
InChIInChI=1S/C13H20N4/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-16-11-15-14/h7-11H,2-6,14H2,1H3/b15-11?,17-16+
InChIKeySPXMJPWZZBSDLW-MTWTVEQLSA-N
MW232.33 g/mol
LogP3.80
Rot. Bonds7

About N'-amino-N-(4-hexylphenyl)iminomethanimidamide

N'-amino-N-(4-hexylphenyl)iminomethanimidamide (PubChem CID 91313473) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-amino-N-(4-hexylphenyl)iminomethanimidamide.

Molecular Properties

Compound NameN'-amino-N-(4-hexylphenyl)iminomethanimidamide
PubChem CID91313473
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN'-amino-N-(4-hexylphenyl)iminomethanimidamide
SMILESCCCCCCc1ccc(/N=N/C=NN)cc1
InChIInChI=1S/C13H20N4/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-16-11-15-14/h7-11H,2-6,14H2,1H3/b15-11?,17-16+
InChIKeySPXMJPWZZBSDLW-MTWTVEQLSA-N
XLogP3.80
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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4-[(4-dodecylphenyl)diazenyl]phenol
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(4-fluorophenyl)-(4-octylphenyl)diazene
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1-butyl-4-nonylbenzene
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1-isocyanato-4-octadecylbenzene
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(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-(4-hexylphenyl)iminomethanimidamide?
The IUPAC name of N'-amino-N-(4-hexylphenyl)iminomethanimidamide (CID 91313473) is N'-amino-N-(4-hexylphenyl)iminomethanimidamide.
What is the SMILES notation for N'-amino-N-(4-hexylphenyl)iminomethanimidamide?
The canonical SMILES for N'-amino-N-(4-hexylphenyl)iminomethanimidamide is CCCCCCc1ccc(/N=N/C=NN)cc1.
What is the InChIKey of N'-amino-N-(4-hexylphenyl)iminomethanimidamide?
The InChIKey is SPXMJPWZZBSDLW-MTWTVEQLSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-16-11-15-14/h7-11H,2-6,14H2,1H3/b15-11?,17-16+.
What are the key properties of N'-amino-N-(4-hexylphenyl)iminomethanimidamide?
N'-amino-N-(4-hexylphenyl)iminomethanimidamide has a molecular weight of 232.33 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-(4-hexylphenyl)iminomethanimidamide is sourced from PubChem (CID 91313473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).