N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide

C15H27N7O2 — CID 170151579

IUPACN-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide
SMILESCCNc1nc(N)nc(CC(=O)NCCCCCCNC(C)=O)n1
InChIInChI=1S/C15H27N7O2/c1-3-17-15-21-12(20-14(16)22-15)10-13(24)19-9-7-5-4-6-8-18-11(2)23/h3-10H2,1-2H3,(H,18,23)(H,19,24)(H3,16,17,20,21,22)
InChIKeyNLAVQEBNIHVXAT-UHFFFAOYSA-N
MW337.43 g/mol
LogP0.24
Rot. Bonds11

About N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide

N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide (PubChem CID 170151579) has the molecular formula C15H27N7O2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide
PubChem CID170151579
Molecular FormulaC15H27N7O2
Molecular Weight337.43 g/mol
Exact Mass337.22
IUPAC NameN-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide
SMILESCCNc1nc(N)nc(CC(=O)NCCCCCCNC(C)=O)n1
InChIInChI=1S/C15H27N7O2/c1-3-17-15-21-12(20-14(16)22-15)10-13(24)19-9-7-5-4-6-8-18-11(2)23/h3-10H2,1-2H3,(H,18,23)(H,19,24)(H3,16,17,20,21,22)
InChIKeyNLAVQEBNIHVXAT-UHFFFAOYSA-N
XLogP0.24
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-carbamoylmethyl-6-piperidino-1,3,5-triazine
CID 616739
N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide
CID 90159099
1-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-3-(6-isocyanatohexyl)urea
CID 139402211
N,4,6-tributyl-1,3,5-triazine-2-carboxamide
CID 140440054
ethane;N-[3-[3-[[4-methyl-6-[[3-oxo-3-[3-(propanoylamino)propylamino]propyl]amino]-1,3,5-triazin-2-yl]amino]propanoylamino]propyl]hexanamide
CID 142489192
3-amino-N-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]propanamide
CID 156106477
3-(diaminomethylideneamino)-N-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]propanamide
CID 156106483
CID 156642030
CID 156642030
1-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-3-heptylurea
CID 157616764
N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide
CID 163476646
2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide
CID 60213971
2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-butyl-2-cyanoacetamide
CID 71907827

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide (CID 170151579) is N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide is CCNc1nc(N)nc(CC(=O)NCCCCCCNC(C)=O)n1.
What is the InChIKey of N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide?
The InChIKey is NLAVQEBNIHVXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O2/c1-3-17-15-21-12(20-14(16)22-15)10-13(24)19-9-7-5-4-6-8-18-11(2)23/h3-10H2,1-2H3,(H,18,23)(H,19,24)(H3,16,17,20,21,22).
What are the key properties of N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide?
N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide has a molecular weight of 337.43 g/mol, XLogP of 0.24, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamidohexyl)-2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 170151579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).