6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine

C23H39N5 — CID 135879934

IUPAC6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine
SMILESCCCCCCCCCC/N=C1\N=C(N)N(Cc2ccc(C)cc2)C(C)(C)N1
InChIInChI=1S/C23H39N5/c1-5-6-7-8-9-10-11-12-17-25-22-26-21(24)28(23(3,4)27-22)18-20-15-13-19(2)14-16-20/h13-16H,5-12,17-18H2,1-4H3,(H3,24,25,26,27)
InChIKeyYAVJEQHCNTZBAY-UHFFFAOYSA-N
MW385.60 g/mol
LogP4.95
Rot. Bonds11

About 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine

6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine (PubChem CID 135879934) has the molecular formula C23H39N5 and a molecular weight of 385.60 g/mol. Its IUPAC name is 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine
PubChem CID135879934
Molecular FormulaC23H39N5
Molecular Weight385.60 g/mol
Exact Mass385.32
IUPAC Name6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine
SMILESCCCCCCCCCC/N=C1\N=C(N)N(Cc2ccc(C)cc2)C(C)(C)N1
InChIInChI=1S/C23H39N5/c1-5-6-7-8-9-10-11-12-17-25-22-26-21(24)28(23(3,4)27-22)18-20-15-13-19(2)14-16-20/h13-16H,5-12,17-18H2,1-4H3,(H3,24,25,26,27)
InChIKeyYAVJEQHCNTZBAY-UHFFFAOYSA-N
XLogP4.95
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine
CID 135879961
6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 56668842
acetic acid;6,6-dimethyl-2-N-[(4-methylphenyl)methyl]-4-N-nonyl-1,3,5-triazinane-2,4-diimine
CID 135931742
1-methyl-4-octylbenzene
CID 11052746
6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine
CID 135931710
hexylimino-(4-methylphenyl)-oxidoazanium
CID 14946357
6-heptadecylimino-1-hydroxypyrimidin-2-amine
CID 18766018
4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
CID 84601474
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203267
5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62677338
4-dodecylaniline;nonadecane
CID 155059812

Frequently Asked Questions

What is the IUPAC name of 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine (CID 135879934) is 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine is CCCCCCCCCC/N=C1\N=C(N)N(Cc2ccc(C)cc2)C(C)(C)N1.
What is the InChIKey of 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine?
The InChIKey is YAVJEQHCNTZBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5/c1-5-6-7-8-9-10-11-12-17-25-22-26-21(24)28(23(3,4)27-22)18-20-15-13-19(2)14-16-20/h13-16H,5-12,17-18H2,1-4H3,(H3,24,25,26,27).
What are the key properties of 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine?
6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine has a molecular weight of 385.60 g/mol, XLogP of 4.95, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 135879934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).