6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C15H26ClN5 — CID 80779089

IUPAC6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(C)C2CCC(CC)CC2)n1
InChIInChI=1S/C15H26ClN5/c1-4-10-17-14-18-13(16)19-15(20-14)21(3)12-8-6-11(5-2)7-9-12/h11-12H,4-10H2,1-3H3,(H,17,18,19,20)
InChIKeyZWXCQFOCPJYBMW-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.75
Rot. Bonds6

About 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80779089) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80779089
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(C)C2CCC(CC)CC2)n1
InChIInChI=1S/C15H26ClN5/c1-4-10-17-14-18-13(16)19-15(20-14)21(3)12-8-6-11(5-2)7-9-12/h11-12H,4-10H2,1-3H3,(H,17,18,19,20)
InChIKeyZWXCQFOCPJYBMW-UHFFFAOYSA-N
XLogP3.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-cyclopropyl-2-N-(3-methylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820771
4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 63548216
6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80852697
6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838063
6-chloro-2-N-methyl-2-N-(oxan-4-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80845641
6-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62980138
6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018
6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80826573
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
6-ethoxy-2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775272
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838043

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80779089) is 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(N(C)C2CCC(CC)CC2)n1.
What is the InChIKey of 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZWXCQFOCPJYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-4-10-17-14-18-13(16)19-15(20-14)21(3)12-8-6-11(5-2)7-9-12/h11-12H,4-10H2,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 311.86 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80779089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).