N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine

C13H21Cl2N5 — CID 106192998

IUPACN'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1nc(Cl)nc(Cl)n1)C1CCCCC1
InChIInChI=1S/C13H21Cl2N5/c1-20(10-6-3-2-4-7-10)9-5-8-16-13-18-11(14)17-12(15)19-13/h10H,2-9H2,1H3,(H,16,17,18,19)
InChIKeyDQTSGRRUIDZDOQ-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.24
Rot. Bonds6

About N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 106192998) has the molecular formula C13H21Cl2N5 and a molecular weight of 318.25 g/mol. Its IUPAC name is N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID106192998
Molecular FormulaC13H21Cl2N5
Molecular Weight318.25 g/mol
Exact Mass317.12
IUPAC NameN'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1nc(Cl)nc(Cl)n1)C1CCCCC1
InChIInChI=1S/C13H21Cl2N5/c1-20(10-6-3-2-4-7-10)9-5-8-16-13-18-11(14)17-12(15)19-13/h10H,2-9H2,1H3,(H,16,17,18,19)
InChIKeyDQTSGRRUIDZDOQ-UHFFFAOYSA-N
XLogP3.24
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
6-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62980138
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62980140
N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 54880422
N-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106997593
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 54880424
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193011
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 65270947
N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
CID 61313714

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine (CID 106192998) is N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine is CN(CCCNc1nc(Cl)nc(Cl)n1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is DQTSGRRUIDZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N5/c1-20(10-6-3-2-4-7-10)9-5-8-16-13-18-11(14)17-12(15)19-13/h10H,2-9H2,1H3,(H,16,17,18,19).
What are the key properties of N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 318.25 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 106192998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).