2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C45H87N9 — CID 67898474

IUPAC2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(C)(C)C(C)N(c1nc(N(C2CCNC(C)(C)C2)C(C)C(C)(C)CC)nc(N(C2CCNC(C)(C)C2)C(C)C(C)(C)CC)n1)C1CCNC(C)(C)C1
InChIInChI=1S/C45H87N9/c1-19-40(7,8)31(4)52(34-22-25-46-43(13,14)28-34)37-49-38(53(32(5)41(9,10)20-2)35-23-26-47-44(15,16)29-35)51-39(50-37)54(33(6)42(11,12)21-3)36-24-27-48-45(17,18)30-36/h31-36,46-48H,19-30H2,1-18H3
InChIKeyRAXMPAYHQKPIFI-UHFFFAOYSA-N
MW754.25 g/mol
LogP9.36
Rot. Bonds15

About 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 67898474) has the molecular formula C45H87N9 and a molecular weight of 754.25 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID67898474
Molecular FormulaC45H87N9
Molecular Weight754.25 g/mol
Exact Mass753.71
IUPAC Name2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(C)(C)C(C)N(c1nc(N(C2CCNC(C)(C)C2)C(C)C(C)(C)CC)nc(N(C2CCNC(C)(C)C2)C(C)C(C)(C)CC)n1)C1CCNC(C)(C)C1
InChIInChI=1S/C45H87N9/c1-19-40(7,8)31(4)52(34-22-25-46-43(13,14)28-34)37-49-38(53(32(5)41(9,10)20-2)35-23-26-47-44(15,16)29-35)51-39(50-37)54(33(6)42(11,12)21-3)36-24-27-48-45(17,18)30-36/h31-36,46-48H,19-30H2,1-18H3
InChIKeyRAXMPAYHQKPIFI-UHFFFAOYSA-N
XLogP9.36
TPSA84.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.25
LogP ≤ 59.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-[[4,6-bis[(2,2-dimethylpiperidin-4-yl)-(5-hydroxy-2-methylhexan-3-yl)amino]-1,3,5-triazin-2-yl]-(2,2-dimethylpiperidin-4-yl)amino]-5-methylhexan-2-ol
CID 67898350
3-[[4-[(1-cyano-3,3-dimethylpentan-2-yl)-(2,2-dimethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2-dimethylpiperidin-4-yl)amino]-4,4-dimethylhexanenitrile
CID 67882169
6-chloro-2-N,4-N-bis(2,2-dimethylbutyl)-2-N,4-N-bis(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 88749175
N,2,2-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 115145402
1-(2,2-dimethylpiperidin-4-yl)-1,2,2-trimethylhydrazine
CID 19609586
N,2,2-trimethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 115145554
N-cyclopentyl-N,2,2-trimethylpiperidin-4-amine
CID 115145455
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145533
N,2,2-trimethyl-N-phenylpiperidin-4-amine;hydrochloride
CID 156708950
N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628
N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine
CID 115145457
N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine
CID 115145465

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 67898474) is 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCC(C)(C)C(C)N(c1nc(N(C2CCNC(C)(C)C2)C(C)C(C)(C)CC)nc(N(C2CCNC(C)(C)C2)C(C)C(C)(C)CC)n1)C1CCNC(C)(C)C1.
What is the InChIKey of 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RAXMPAYHQKPIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H87N9/c1-19-40(7,8)31(4)52(34-22-25-46-43(13,14)28-34)37-49-38(53(32(5)41(9,10)20-2)35-23-26-47-44(15,16)29-35)51-39(50-37)54(33(6)42(11,12)21-3)36-24-27-48-45(17,18)30-36/h31-36,46-48H,19-30H2,1-18H3.
What are the key properties of 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 754.25 g/mol, XLogP of 9.36, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(3,3-dimethylpentan-2-yl)-2-N,4-N,6-N-tris(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67898474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).