6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine

C14H23Cl2N3 — CID 102757349

IUPAC6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine
SMILESCCCCN(c1nc(NC)c(Cl)cc1Cl)C(C)CC
InChIInChI=1S/C14H23Cl2N3/c1-5-7-8-19(10(3)6-2)14-12(16)9-11(15)13(17-4)18-14/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyTXRYQFBAVXVZLV-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.84
Rot. Bonds7

About 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine

6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine (PubChem CID 102757349) has the molecular formula C14H23Cl2N3 and a molecular weight of 304.26 g/mol. Its IUPAC name is 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine
PubChem CID102757349
Molecular FormulaC14H23Cl2N3
Molecular Weight304.26 g/mol
Exact Mass303.13
IUPAC Name6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine
SMILESCCCCN(c1nc(NC)c(Cl)cc1Cl)C(C)CC
InChIInChI=1S/C14H23Cl2N3/c1-5-7-8-19(10(3)6-2)14-12(16)9-11(15)13(17-4)18-14/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyTXRYQFBAVXVZLV-UHFFFAOYSA-N
XLogP4.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-butan-2-yl-N-butyl-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761856
3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine
CID 107871755
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773
3,5-dichloro-2-N,6-N-dimethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 102755864
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
CID 102750784
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63727976
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine
CID 80735715

Frequently Asked Questions

What is the IUPAC name of 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine (CID 102757349) is 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine is CCCCN(c1nc(NC)c(Cl)cc1Cl)C(C)CC.
What is the InChIKey of 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine?
The InChIKey is TXRYQFBAVXVZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2N3/c1-5-7-8-19(10(3)6-2)14-12(16)9-11(15)13(17-4)18-14/h9-10H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine?
6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine has a molecular weight of 304.26 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102757349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).