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

C29H54ClN7 — CID 88749175

IUPAC6-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
SMILESCCC(C)(C)CN(c1nc(Cl)nc(N(CC(C)(C)CC)C2CCNC(C)(C)C2)n1)C1CCNC(C)(C)C1
InChIInChI=1S/C29H54ClN7/c1-11-26(3,4)19-36(21-13-15-31-28(7,8)17-21)24-33-23(30)34-25(35-24)37(20-27(5,6)12-2)22-14-16-32-29(9,10)18-22/h21-22,31-32H,11-20H2,1-10H3
InChIKeyINMVFHUKRMSLKD-UHFFFAOYSA-N
MW536.25 g/mol
LogP6.07
Rot. Bonds10

About 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

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 (PubChem CID 88749175) has the molecular formula C29H54ClN7 and a molecular weight of 536.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID88749175
Molecular FormulaC29H54ClN7
Molecular Weight536.25 g/mol
Exact Mass535.41
IUPAC Name6-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
SMILESCCC(C)(C)CN(c1nc(Cl)nc(N(CC(C)(C)CC)C2CCNC(C)(C)C2)n1)C1CCNC(C)(C)C1
InChIInChI=1S/C29H54ClN7/c1-11-26(3,4)19-36(21-13-15-31-28(7,8)17-21)24-33-23(30)34-25(35-24)37(20-27(5,6)12-2)22-14-16-32-29(9,10)18-22/h21-22,31-32H,11-20H2,1-10H3
InChIKeyINMVFHUKRMSLKD-UHFFFAOYSA-N
XLogP6.07
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.25
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
6-chloro-2-N,4-N-diethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 14746197
4,6-dichloro-N-(2-methoxyethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 20536071
6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62863617
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
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145533
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,2,2-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 115145402
N-cyclopentyl-N,2,2-trimethylpiperidin-4-amine
CID 115145455
N-butyl-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 88600490

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(C)CN(c1nc(Cl)nc(N(CC(C)(C)CC)C2CCNC(C)(C)C2)n1)C1CCNC(C)(C)C1.
What is the InChIKey of 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?
The InChIKey is INMVFHUKRMSLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54ClN7/c1-11-26(3,4)19-36(21-13-15-31-28(7,8)17-21)24-33-23(30)34-25(35-24)37(20-27(5,6)12-2)22-14-16-32-29(9,10)18-22/h21-22,31-32H,11-20H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 536.25 g/mol, XLogP of 6.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88749175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).