3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine

C14H24Cl2N4 — CID 102757677

IUPAC3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
SMILESCNc1nc(NCCCCN(C)C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H24Cl2N4/c1-10(2)20(4)8-6-5-7-18-14-12(16)9-11(15)13(17-3)19-14/h9-10H,5-8H2,1-4H3,(H2,17,18,19)
InChIKeyMLTZANGDJXSMEV-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.96
Rot. Bonds8

About 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine

3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine (PubChem CID 102757677) has the molecular formula C14H24Cl2N4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
PubChem CID102757677
Molecular FormulaC14H24Cl2N4
Molecular Weight319.28 g/mol
Exact Mass318.14
IUPAC Name3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
SMILESCNc1nc(NCCCCN(C)C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H24Cl2N4/c1-10(2)20(4)8-6-5-7-18-14-12(16)9-11(15)13(17-3)19-14/h9-10H,5-8H2,1-4H3,(H2,17,18,19)
InChIKeyMLTZANGDJXSMEV-UHFFFAOYSA-N
XLogP3.96
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
6-N-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796552
N-(2-chloro-5-fluoropyrimidin-4-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79081852
5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042165
5-chloro-4-N-[3-[methyl(propan-2-yl)amino]propyl]-2-N-propylpyrimidine-2,4-diamine
CID 106042072
6-chloro-2-[4-[methyl(propan-2-yl)amino]butylamino]pyridine-3-carboxylic acid
CID 63380062
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106767627
6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80795484

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine (CID 102757677) is 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine is CNc1nc(NCCCCN(C)C(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine?
The InChIKey is MLTZANGDJXSMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2N4/c1-10(2)20(4)8-6-5-7-18-14-12(16)9-11(15)13(17-3)19-14/h9-10H,5-8H2,1-4H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine has a molecular weight of 319.28 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine is sourced from PubChem (CID 102757677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).