2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine

C15H27N5O — CID 80792133

IUPAC2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCC2CCC(CC)CC2)n1
InChIInChI=1S/C15H27N5O/c1-3-9-21-15-19-13(16)18-14(20-15)17-10-12-7-5-11(4-2)6-8-12/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyGPTBIRAHMSUGNI-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.87
Rot. Bonds7

About 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80792133) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80792133
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCC2CCC(CC)CC2)n1
InChIInChI=1S/C15H27N5O/c1-3-9-21-15-19-13(16)18-14(20-15)17-10-12-7-5-11(4-2)6-8-12/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyGPTBIRAHMSUGNI-UHFFFAOYSA-N
XLogP2.87
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138618
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114542042
2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803159
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 80921761
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80822880
[2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
CID 106368273
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198615

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80792133) is 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCC2CCC(CC)CC2)n1.
What is the InChIKey of 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GPTBIRAHMSUGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-9-21-15-19-13(16)18-14(20-15)17-10-12-7-5-11(4-2)6-8-12/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80792133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).