2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide

C24H44N6O — CID 142081502

IUPAC2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
SMILESCc1nc(C)nc(C(C)(C)N(CCNC(=O)C(C)(C)NC(C)(C)C)C2CCCCC2)n1
InChIInChI=1S/C24H44N6O/c1-17-26-18(2)28-20(27-17)24(8,9)30(19-13-11-10-12-14-19)16-15-25-21(31)23(6,7)29-22(3,4)5/h19,29H,10-16H2,1-9H3,(H,25,31)
InChIKeyNKQUXRPJFGZBSM-UHFFFAOYSA-N
MW432.66 g/mol
LogP3.64
Rot. Bonds8

About 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide

2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide (PubChem CID 142081502) has the molecular formula C24H44N6O and a molecular weight of 432.66 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
PubChem CID142081502
Molecular FormulaC24H44N6O
Molecular Weight432.66 g/mol
Exact Mass432.36
IUPAC Name2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
SMILESCc1nc(C)nc(C(C)(C)N(CCNC(=O)C(C)(C)NC(C)(C)C)C2CCCCC2)n1
InChIInChI=1S/C24H44N6O/c1-17-26-18(2)28-20(27-17)24(8,9)30(19-13-11-10-12-14-19)16-15-25-21(31)23(6,7)29-22(3,4)5/h19,29H,10-16H2,1-9H3,(H,25,31)
InChIKeyNKQUXRPJFGZBSM-UHFFFAOYSA-N
XLogP3.64
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.66
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide
CID 18769910
[4-Amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134914238
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 42929906
2-Amino-N-(1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)-4-methylpentanamide
CID 597304
2-Amino-N-(1-[((1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)amino)carbonyl]-3-methylbutyl)-4-methylpentanamide
CID 624283
1-[2-[[4-Chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20225391
1-[2-[Cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
CID 20768143
1-[2-[Cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20768144
1-[2-[6-[[4-(Tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[1-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]hexyl-methylamino]propyl]-3,3,4,5,5-pentamethylpiperazin-2-one
CID 21136884
1-[2-[6-[[4-(Tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
CID 21136885
1-[2-[6-[[4-(Tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]hexyl-methylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 21136887
1-[2-[6-[[4-(Tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 21136888

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide (CID 142081502) is 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide is Cc1nc(C)nc(C(C)(C)N(CCNC(=O)C(C)(C)NC(C)(C)C)C2CCCCC2)n1.
What is the InChIKey of 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide?
The InChIKey is NKQUXRPJFGZBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N6O/c1-17-26-18(2)28-20(27-17)24(8,9)30(19-13-11-10-12-14-19)16-15-25-21(31)23(6,7)29-22(3,4)5/h19,29H,10-16H2,1-9H3,(H,25,31).
What are the key properties of 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide?
2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide has a molecular weight of 432.66 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 142081502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).