5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide

C19H28N8 — CID 67870731

IUPAC5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide
SMILESCCCCCCCCC/N=C(/Nc1ccc(C#N)cc1)n1nnc(CN)n1
InChIInChI=1S/C19H28N8/c1-2-3-4-5-6-7-8-13-22-19(27-25-18(15-21)24-26-27)23-17-11-9-16(14-20)10-12-17/h9-12H,2-8,13,15,21H2,1H3,(H,22,23)
InChIKeyREZHEEDFOWRVFA-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.07
Rot. Bonds10

About 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide

5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide (PubChem CID 67870731) has the molecular formula C19H28N8 and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide
PubChem CID67870731
Molecular FormulaC19H28N8
Molecular Weight368.49 g/mol
Exact Mass368.24
IUPAC Name5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide
SMILESCCCCCCCCC/N=C(/Nc1ccc(C#N)cc1)n1nnc(CN)n1
InChIInChI=1S/C19H28N8/c1-2-3-4-5-6-7-8-13-22-19(27-25-18(15-21)24-26-27)23-17-11-9-16(14-20)10-12-17/h9-12H,2-8,13,15,21H2,1H3,(H,22,23)
InChIKeyREZHEEDFOWRVFA-UHFFFAOYSA-N
XLogP3.07
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

5-(aminomethyl)-N-(4-cyanophenyl)-N'-cyclooctyltetrazole-2-carboximidamide
CID 67869695
N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
4-(decylamino)benzonitrile
CID 23349332
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-N'-ethylcarbamimidoyl chloride
CID 130011562
N-[(4-cyanophenyl)carbamothioyl]octanamide
CID 4958873
2-butylsulfinyl-N-(4-cyanophenyl)acetamide
CID 64692326
2-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111052316
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile
CID 5051990
N-(4-cyanophenyl)-2-pentoxypropanamide
CID 43275133

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide?
The IUPAC name of 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide (CID 67870731) is 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide is CCCCCCCCC/N=C(/Nc1ccc(C#N)cc1)n1nnc(CN)n1.
What is the InChIKey of 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide?
The InChIKey is REZHEEDFOWRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8/c1-2-3-4-5-6-7-8-13-22-19(27-25-18(15-21)24-26-27)23-17-11-9-16(14-20)10-12-17/h9-12H,2-8,13,15,21H2,1H3,(H,22,23).
What are the key properties of 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide?
5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide has a molecular weight of 368.49 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-cyanophenyl)-N'-nonyltetrazole-2-carboximidamide is sourced from PubChem (CID 67870731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).