6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine

C26H53N7 — CID 146641463

IUPAC6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(C)c1nc(NC(CC(C)(C)C)CC(C)(C)N)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C26H53N7/c1-10-13-16-32(9)23-29-22(28-21(19-25(4,5)6)20-26(7,8)27)30-24(31-23)33(17-14-11-2)18-15-12-3/h21H,10-20,27H2,1-9H3,(H,28,29,30,31)
InChIKeyBTLYGCMKESNVPL-UHFFFAOYSA-N
MW463.76 g/mol
LogP5.86
Rot. Bonds16

About 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine

6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 146641463) has the molecular formula C26H53N7 and a molecular weight of 463.76 g/mol. Its IUPAC name is 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID146641463
Molecular FormulaC26H53N7
Molecular Weight463.76 g/mol
Exact Mass463.44
IUPAC Name6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(C)c1nc(NC(CC(C)(C)C)CC(C)(C)N)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C26H53N7/c1-10-13-16-32(9)23-29-22(28-21(19-25(4,5)6)20-26(7,8)27)30-24(31-23)33(17-14-11-2)18-15-12-3/h21H,10-20,27H2,1-9H3,(H,28,29,30,31)
InChIKeyBTLYGCMKESNVPL-UHFFFAOYSA-N
XLogP5.86
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.76
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-butyl-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80916617
N,N-dibutyl-4,6-dihydrazinyl-1,3,5-triazin-2-amine
CID 101056119
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
N-butyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917120
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine
CID 59356287
4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754298
2-[butyl-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80820628
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80753902
2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754638
2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80845861
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 146641463) is 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCN(C)c1nc(NC(CC(C)(C)C)CC(C)(C)N)nc(N(CCCC)CCCC)n1.
What is the InChIKey of 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BTLYGCMKESNVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N7/c1-10-13-16-32(9)23-29-22(28-21(19-25(4,5)6)20-26(7,8)27)30-24(31-23)33(17-14-11-2)18-15-12-3/h21H,10-20,27H2,1-9H3,(H,28,29,30,31).
What are the key properties of 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 463.76 g/mol, XLogP of 5.86, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-amino-2,6,6-trimethylheptan-4-yl)-2-N,2-N,4-N-tributyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 146641463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).