4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C18H34N6O2 — CID 23758052

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1
InChIInChI=1S/C18H34N6O2/c1-14(2)21-18-23-16(15-6-4-3-5-7-15)22-17(24-18)20-9-11-26-13-12-25-10-8-19/h14-15H,3-13,19H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyPRVLLFNINKHPOD-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.14
Rot. Bonds12

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23758052) has the molecular formula C18H34N6O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID23758052
Molecular FormulaC18H34N6O2
Molecular Weight366.51 g/mol
Exact Mass366.27
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1
InChIInChI=1S/C18H34N6O2/c1-14(2)21-18-23-16(15-6-4-3-5-7-15)22-17(24-18)20-9-11-26-13-12-25-10-8-19/h14-15H,3-13,19H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyPRVLLFNINKHPOD-UHFFFAOYSA-N
XLogP2.14
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine
CID 56947294
2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 11100275
6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 22070337
2-[2-[[4-Cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 22070343
6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 54545571
2-[[4-Cyclohexyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67593026
6-[(2-methoxy-4-methylcyclohexyl)oxymethyl]-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 68030118
N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 118045121
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 135300695
2-N-[(1R)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 11727899
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 23758057
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine
CID 23758059

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 23758052) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PRVLLFNINKHPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N6O2/c1-14(2)21-18-23-16(15-6-4-3-5-7-15)22-17(24-18)20-9-11-26-13-12-25-10-8-19/h14-15H,3-13,19H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 366.51 g/mol, XLogP of 2.14, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).