2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine

C17H30N6 — CID 23290172

IUPAC2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(NCC2CCCCC2)nc(NCC2CCCCC2)n1
InChIInChI=1S/C17H30N6/c18-15-21-16(19-11-13-7-3-1-4-8-13)23-17(22-15)20-12-14-9-5-2-6-10-14/h13-14H,1-12H2,(H4,18,19,20,21,22,23)
InChIKeyCOXCTLRMSQNJIH-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.44
Rot. Bonds6

About 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23290172) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23290172
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC Name2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(NCC2CCCCC2)nc(NCC2CCCCC2)n1
InChIInChI=1S/C17H30N6/c18-15-21-16(19-11-13-7-3-1-4-8-13)23-17(22-15)20-12-14-9-5-2-6-10-14/h13-14H,1-12H2,(H4,18,19,20,21,22,23)
InChIKeyCOXCTLRMSQNJIH-UHFFFAOYSA-N
XLogP3.44
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746494
2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 139676139
2-N-(cyclopentylmethyl)-1,3,5-triazine-2,4-diamine
CID 126972390
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772042
6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 90159113
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 23290172) is 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine is Nc1nc(NCC2CCCCC2)nc(NCC2CCCCC2)n1.
What is the InChIKey of 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is COXCTLRMSQNJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c18-15-21-16(19-11-13-7-3-1-4-8-13)23-17(22-15)20-12-14-9-5-2-6-10-14/h13-14H,1-12H2,(H4,18,19,20,21,22,23).
What are the key properties of 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 318.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23290172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).