6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine

C22H37N5 — CID 135931710

IUPAC6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine
SMILESCCCCCCCCC/N=C1\N/C(=N\CCc2ccccc2)NC(C)(C)N1
InChIInChI=1S/C22H37N5/c1-4-5-6-7-8-9-13-17-23-20-25-21(27-22(2,3)26-20)24-18-16-19-14-11-10-12-15-19/h10-12,14-15H,4-9,13,16-18H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyRYVOVQWSDZKQDL-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.21
Rot. Bonds11

About 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine

6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine (PubChem CID 135931710) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine.

Molecular Properties

Compound Name6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine
PubChem CID135931710
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC Name6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine
SMILESCCCCCCCCC/N=C1\N/C(=N\CCc2ccccc2)NC(C)(C)N1
InChIInChI=1S/C22H37N5/c1-4-5-6-7-8-9-13-17-23-20-25-21(27-22(2,3)26-20)24-18-16-19-14-11-10-12-15-19/h10-12,14-15H,4-9,13,16-18H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyRYVOVQWSDZKQDL-UHFFFAOYSA-N
XLogP4.21
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine with MolForge

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Related Compounds

acetic acid;6,6-dimethyl-2-N-[(4-methylphenyl)methyl]-4-N-nonyl-1,3,5-triazinane-2,4-diimine
CID 135931742
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine?
The IUPAC name of 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine (CID 135931710) is 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine.
What is the SMILES notation for 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine?
The canonical SMILES for 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine is CCCCCCCCC/N=C1\N/C(=N\CCc2ccccc2)NC(C)(C)N1.
What is the InChIKey of 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine?
The InChIKey is RYVOVQWSDZKQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5/c1-4-5-6-7-8-9-13-17-23-20-25-21(27-22(2,3)26-20)24-18-16-19-14-11-10-12-15-19/h10-12,14-15H,4-9,13,16-18H2,1-3H3,(H3,23,24,25,26,27).
What are the key properties of 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine?
6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine has a molecular weight of 371.57 g/mol, XLogP of 4.21, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine is sourced from PubChem (CID 135931710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).