3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride

C63H96Br6Cl2N11- — CID 157470592

IUPAC3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride
SMILESC=Cc1cncc(C=C)c1N(C)C.CN(C)c1c(Br)cncc1Br.CN(C)c1c(CC(C)(C)C)cncc1CC(C)(C)C.CN1CC(CC(C)(C)C)C(N(C)C)C(CC(C)(C)C)C1.Clc1c(Br)cncc1Br.Nc1c(Br)cncc1Br.[Cl-]
InChIInChI=1S/C18H38N2.C17H30N2.C11H14N2.C7H8Br2N2.C5H2Br2ClN.C5H4Br2N2.ClH/c1-17(2,3)10-14-12-20(9)13-15(11-18(4,5)6)16(14)19(7)8;1-16(2,3)9-13-11-18-12-14(10-17(4,5)6)15(13)19(7)8;1-5-9-7-12-8-10(6-2)11(9)13(3)4;1-11(2)7-5(8)3-10-4-6(7)9;2*6-3-1-9-2-4(7)5(3)8;/h14-16H,10-13H2,1-9H3;11-12H,9-10H2,1-8H3;5-8H,1-2H2,3-4H3;3-4H,1-2H3;1-2H;1-2H,(H2,8,9);1H/p-1
InChIKeyUOFQGHOSFLTBOT-UHFFFAOYSA-M
MW1557.87 g/mol
LogP15.85
Rot. Bonds10

About 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride

3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride (PubChem CID 157470592) has the molecular formula C63H96Br6Cl2N11- and a molecular weight of 1557.87 g/mol. Its IUPAC name is 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride.

Molecular Properties

Compound Name3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride
PubChem CID157470592
Molecular FormulaC63H96Br6Cl2N11-
Molecular Weight1557.87 g/mol
Exact Mass1550.23
IUPAC Name3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride
SMILESC=Cc1cncc(C=C)c1N(C)C.CN(C)c1c(Br)cncc1Br.CN(C)c1c(CC(C)(C)C)cncc1CC(C)(C)C.CN1CC(CC(C)(C)C)C(N(C)C)C(CC(C)(C)C)C1.Clc1c(Br)cncc1Br.Nc1c(Br)cncc1Br.[Cl-]
InChIInChI=1S/C18H38N2.C17H30N2.C11H14N2.C7H8Br2N2.C5H2Br2ClN.C5H4Br2N2.ClH/c1-17(2,3)10-14-12-20(9)13-15(11-18(4,5)6)16(14)19(7)8;1-16(2,3)9-13-11-18-12-14(10-17(4,5)6)15(13)19(7)8;1-5-9-7-12-8-10(6-2)11(9)13(3)4;1-11(2)7-5(8)3-10-4-6(7)9;2*6-3-1-9-2-4(7)5(3)8;/h14-16H,10-13H2,1-9H3;11-12H,9-10H2,1-8H3;5-8H,1-2H2,3-4H3;3-4H,1-2H3;1-2H;1-2H,(H2,8,9);1H/p-1
InChIKeyUOFQGHOSFLTBOT-UHFFFAOYSA-M
XLogP15.85
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001557.87
LogP ≤ 515.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride with MolForge

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Related Compounds

3,5-Bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine
CID 158468947
3,5-Bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride
CID 158861350
3,5-Bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride
CID 162111468
3,5-Bis(prop-1-en-2-yl)pyridin-4-amine;3,5-dibromopyridin-4-amine;bis(3,5-di(propan-2-yl)pyridin-4-amine);2-methylprop-1-ene
CID 168389591

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride?
The IUPAC name of 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride (CID 157470592) is 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride.
What is the SMILES notation for 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride?
The canonical SMILES for 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride is C=Cc1cncc(C=C)c1N(C)C.CN(C)c1c(Br)cncc1Br.CN(C)c1c(CC(C)(C)C)cncc1CC(C)(C)C.CN1CC(CC(C)(C)C)C(N(C)C)C(CC(C)(C)C)C1.Clc1c(Br)cncc1Br.Nc1c(Br)cncc1Br.[Cl-].
What is the InChIKey of 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride?
The InChIKey is UOFQGHOSFLTBOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H38N2.C17H30N2.C11H14N2.C7H8Br2N2.C5H2Br2ClN.C5H4Br2N2.ClH/c1-17(2,3)10-14-12-20(9)13-15(11-18(4,5)6)16(14)19(7)8;1-16(2,3)9-13-11-18-12-14(10-17(4,5)6)15(13)19(7)8;1-5-9-7-12-8-10(6-2)11(9)13(3)4;1-11(2)7-5(8)3-10-4-6(7)9;2*6-3-1-9-2-4(7)5(3)8;/h14-16H,10-13H2,1-9H3;11-12H,9-10H2,1-8H3;5-8H,1-2H2,3-4H3;3-4H,1-2H3;1-2H;1-2H,(H2,8,9);1H/p-1.
What are the key properties of 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride?
3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride has a molecular weight of 1557.87 g/mol, XLogP of 15.85, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride is sourced from PubChem (CID 157470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).