2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine

C24H47N7 — CID 145163543

IUPAC2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESC/C=N\N(C)c1nc(NC(C)(CC)CCCCC)nc(NC(C)(CC)CCCCC)n1
InChIInChI=1S/C24H47N7/c1-9-14-16-18-23(6,11-3)29-20-26-21(28-22(27-20)31(8)25-13-5)30-24(7,12-4)19-17-15-10-2/h13H,9-12,14-19H2,1-8H3,(H2,26,27,28,29,30)/b25-13-
InChIKeyVUHRONQPHGZIPP-MXAYSNPKSA-N
MW433.69 g/mol
LogP6.64
Rot. Bonds16

About 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine

2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 145163543) has the molecular formula C24H47N7 and a molecular weight of 433.69 g/mol. Its IUPAC name is 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID145163543
Molecular FormulaC24H47N7
Molecular Weight433.69 g/mol
Exact Mass433.39
IUPAC Name2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESC/C=N\N(C)c1nc(NC(C)(CC)CCCCC)nc(NC(C)(CC)CCCCC)n1
InChIInChI=1S/C24H47N7/c1-9-14-16-18-23(6,11-3)29-20-26-21(28-22(27-20)31(8)25-13-5)30-24(7,12-4)19-17-15-10-2/h13H,9-12,14-19H2,1-8H3,(H2,26,27,28,29,30)/b25-13-
InChIKeyVUHRONQPHGZIPP-MXAYSNPKSA-N
XLogP6.64
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.69
LogP ≤ 56.64
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methyldecan-3-yl)pyrimidin-2-amine
CID 155123282
N-(3-methyloctan-3-yl)pyridin-4-amine
CID 134415197
4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 106332376
6-methoxy-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174661
4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80852626
N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide
CID 138627054
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868608
2-(2,2-dimethylhydrazinyl)-2-methylnonan-1-amine
CID 83011091

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 145163543) is 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine is C/C=N\N(C)c1nc(NC(C)(CC)CCCCC)nc(NC(C)(CC)CCCCC)n1.
What is the InChIKey of 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VUHRONQPHGZIPP-MXAYSNPKSA-N. The full InChI is InChI=1S/C24H47N7/c1-9-14-16-18-23(6,11-3)29-20-26-21(28-22(27-20)31(8)25-13-5)30-24(7,12-4)19-17-15-10-2/h13H,9-12,14-19H2,1-8H3,(H2,26,27,28,29,30)/b25-13-.
What are the key properties of 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine?
2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 433.69 g/mol, XLogP of 6.64, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 145163543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).