2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine

C17H32N6O2 — CID 11100275

IUPAC2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCNc1nc(NCCOC)nc(N[C@@H](C)C2CCCCC2)n1
InChIInChI=1S/C17H32N6O2/c1-13(14-7-5-4-6-8-14)20-17-22-15(18-9-11-24-2)21-16(23-17)19-10-12-25-3/h13-14H,4-12H2,1-3H3,(H3,18,19,20,21,22,23)/t13-/m0/s1
InChIKeyHOSWTERPSBZJRU-ZDUSSCGKSA-N
MW352.48 g/mol
LogP2.37
Rot. Bonds11

About 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine

2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 11100275) has the molecular formula C17H32N6O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID11100275
Molecular FormulaC17H32N6O2
Molecular Weight352.48 g/mol
Exact Mass352.26
IUPAC Name2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCNc1nc(NCCOC)nc(N[C@@H](C)C2CCCCC2)n1
InChIInChI=1S/C17H32N6O2/c1-13(14-7-5-4-6-8-14)20-17-22-15(18-9-11-24-2)21-16(23-17)19-10-12-25-3/h13-14H,4-12H2,1-3H3,(H3,18,19,20,21,22,23)/t13-/m0/s1
InChIKeyHOSWTERPSBZJRU-ZDUSSCGKSA-N
XLogP2.37
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 23295153
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 23872952
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23873081
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23956851
4,6-dimethoxy-N-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
CID 53889050
4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
CID 54323821
2-[[4-(2-Hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 54518818
4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
CID 70409296
4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
CID 70418013
2-[[4-(2-Hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 70512865
2-[[4-(1-Hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 70586404
14-N,29-N-bis[(1S)-1-cyclohexylethyl]-5,8,20,23-tetraoxa-2,11,13,15,17,26,28,30,31,32-decazatricyclo[25.3.1.112,16]dotriaconta-1(31),12(32),13,15,27,29-hexaene-14,29-diamine
CID 10908659

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine (CID 11100275) is 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine is COCCNc1nc(NCCOC)nc(N[C@@H](C)C2CCCCC2)n1.
What is the InChIKey of 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HOSWTERPSBZJRU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H32N6O2/c1-13(14-7-5-4-6-8-14)20-17-22-15(18-9-11-24-2)21-16(23-17)19-10-12-25-3/h13-14H,4-12H2,1-3H3,(H3,18,19,20,21,22,23)/t13-/m0/s1.
What are the key properties of 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 352.48 g/mol, XLogP of 2.37, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11100275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).