3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine

C14H24Cl2N4 — CID 102998847

IUPAC3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
SMILESCCNc1nc(N(CC)CCCN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H24Cl2N4/c1-5-17-13-11(15)10-12(16)14(18-13)20(6-2)9-7-8-19(3)4/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyYEDQFIRQKKOJQY-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.60
Rot. Bonds8

About 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine

3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine (PubChem CID 102998847) has the molecular formula C14H24Cl2N4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
PubChem CID102998847
Molecular FormulaC14H24Cl2N4
Molecular Weight319.28 g/mol
Exact Mass318.14
IUPAC Name3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
SMILESCCNc1nc(N(CC)CCCN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H24Cl2N4/c1-5-17-13-11(15)10-12(16)14(18-13)20(6-2)9-7-8-19(3)4/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyYEDQFIRQKKOJQY-UHFFFAOYSA-N
XLogP3.60
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-ethyl-6-N-propylpyridine-2,6-diamine
CID 102757691
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide
CID 102756769
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757385
3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 102757406
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
N'-(2-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995627
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995629
3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 102760859

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine (CID 102998847) is 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine is CCNc1nc(N(CC)CCCN(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine?
The InChIKey is YEDQFIRQKKOJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2N4/c1-5-17-13-11(15)10-12(16)14(18-13)20(6-2)9-7-8-19(3)4/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine?
3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine has a molecular weight of 319.28 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine is sourced from PubChem (CID 102998847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).