N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine

C11H14Cl3N3 — CID 102751027

IUPACN'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(CCNc1nc(Cl)c(Cl)cc1Cl)C1CC1
InChIInChI=1S/C11H14Cl3N3/c1-17(7-2-3-7)5-4-15-11-9(13)6-8(12)10(14)16-11/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyMZDPCVGTMBKXFK-UHFFFAOYSA-N
MW294.61 g/mol
LogP3.55
Rot. Bonds5

About N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 102751027) has the molecular formula C11H14Cl3N3 and a molecular weight of 294.61 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine
PubChem CID102751027
Molecular FormulaC11H14Cl3N3
Molecular Weight294.61 g/mol
Exact Mass293.03
IUPAC NameN'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(CCNc1nc(Cl)c(Cl)cc1Cl)C1CC1
InChIInChI=1S/C11H14Cl3N3/c1-17(7-2-3-7)5-4-15-11-9(13)6-8(12)10(14)16-11/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyMZDPCVGTMBKXFK-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823116
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822914
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 102762401
N-(7-chloro-1,3-benzothiazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55140262
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63729738
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316884

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine (CID 102751027) is N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine is CN(CCNc1nc(Cl)c(Cl)cc1Cl)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is MZDPCVGTMBKXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N3/c1-17(7-2-3-7)5-4-15-11-9(13)6-8(12)10(14)16-11/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 294.61 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 102751027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).