3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine

C14H24Cl2N4 — CID 102757675

IUPAC3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCCCN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H24Cl2N4/c1-4-7-17-13-11(15)10-12(16)14(19-13)18-8-5-6-9-20(2)3/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyMTHXRKPPILDABM-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.96
Rot. Bonds9

About 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 102757675) has the molecular formula C14H24Cl2N4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
PubChem CID102757675
Molecular FormulaC14H24Cl2N4
Molecular Weight319.28 g/mol
Exact Mass318.14
IUPAC Name3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCCCN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H24Cl2N4/c1-4-7-17-13-11(15)10-12(16)14(19-13)18-8-5-6-9-20(2)3/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyMTHXRKPPILDABM-UHFFFAOYSA-N
XLogP3.96
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 102760859
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 102762401
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
CID 102757677
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 106163265
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine (CID 102757675) is 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCCCCN(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is MTHXRKPPILDABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2N4/c1-4-7-17-13-11(15)10-12(16)14(19-13)18-8-5-6-9-20(2)3/h10H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 319.28 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102757675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).