3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine

C34H46Br2N8 — CID 158468947

IUPAC3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine
SMILESC=Cc1cncc(C=C)c1N.CC(C)(C)Cc1cncc(CC(C)(C)C)c1N.Nc1c(Br)cncc1Br.Nc1ccncc1
InChIInChI=1S/C15H26N2.C9H10N2.C5H4Br2N2.C5H6N2/c1-14(2,3)7-11-9-17-10-12(13(11)16)8-15(4,5)6;1-3-7-5-11-6-8(4-2)9(7)10;6-3-1-9-2-4(7)5(3)8;6-5-1-3-7-4-2-5/h9-10H,7-8H2,1-6H3,(H2,16,17);3-6H,1-2H2,(H2,10,11);1-2H,(H2,8,9);1-4H,(H2,6,7)
InChIKeyHGCLDIGPBBTNFV-UHFFFAOYSA-N
MW726.61 g/mol
LogP8.64
Rot. Bonds4

About 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-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 (PubChem CID 158468947) has the molecular formula C34H46Br2N8 and a molecular weight of 726.61 g/mol. Its IUPAC name is 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine.

Molecular Properties

Compound Name3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine
PubChem CID158468947
Molecular FormulaC34H46Br2N8
Molecular Weight726.61 g/mol
Exact Mass724.22
IUPAC Name3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine
SMILESC=Cc1cncc(C=C)c1N.CC(C)(C)Cc1cncc(CC(C)(C)C)c1N.Nc1c(Br)cncc1Br.Nc1ccncc1
InChIInChI=1S/C15H26N2.C9H10N2.C5H4Br2N2.C5H6N2/c1-14(2,3)7-11-9-17-10-12(13(11)16)8-15(4,5)6;1-3-7-5-11-6-8(4-2)9(7)10;6-3-1-9-2-4(7)5(3)8;6-5-1-3-7-4-2-5/h9-10H,7-8H2,1-6H3,(H2,16,17);3-6H,1-2H2,(H2,10,11);1-2H,(H2,8,9);1-4H,(H2,6,7)
InChIKeyHGCLDIGPBBTNFV-UHFFFAOYSA-N
XLogP8.64
TPSA155.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.61
LogP ≤ 58.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(6-Bromo-3-pyridinyl)-2,6-dipyridin-2-ylpyridine
CID 90918546
6-[5-(3,3-Dimethylbut-1-en-2-ylamino)-3-pyridinyl]-5-fluoro-4-[2-[(3-methyl-2-pyridin-4-yl-4-pyridinyl)amino]prop-2-enimidoyl]pyridin-3-amine
CID 145033493
3-Bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine
CID 161233460
5-Bromo-2-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]pyridine
CID 101526146
2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(4-methyl-2-pyridinyl)-21,22,23,24-tetrahydroporphyrin
CID 123212106
2,3,7,8,17,18,22,24-Octabromo-5,10,15,20-tetrakis(4-methyl-2-pyridinyl)-21,23-dihydroporphyrin
CID 123580318
Tetrakis(4-amino-3-methylpyridine)diisothiocyanatocadmium(II)
CID 139067835
5-Bromo-2-[3,5-ditert-butyl-7-[6-[3,5-ditert-butyl-7-[6-[3,5-ditert-butyl-7-[6-(3,5-ditert-butylhepta-3,4-dien-1,6-diynyl)-3-pyridinyl]hepta-3,4-dien-1,6-diynyl]-3-pyridinyl]hepta-3,4-dien-1,6-diynyl]-3-pyridinyl]hepta-3,4-dien-1,6-diynyl]pyridine
CID 139247704
2-Bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 10837995
Tris(2-(3-bromophenyl)pyridine);gold(3+);2-phenylpyridine
CID 17836220
3-(1-Pyridin-4-ylpiperidin-2-yl)propan-1-amine;3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-amine;bromide;hydrobromide
CID 22118992
5,10,15,20-Tetrakis(5-bromo-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin
CID 53731726

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine?
The IUPAC name of 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) is 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine.
What is the SMILES notation for 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine?
The canonical SMILES for 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine is C=Cc1cncc(C=C)c1N.CC(C)(C)Cc1cncc(CC(C)(C)C)c1N.Nc1c(Br)cncc1Br.Nc1ccncc1.
What is the InChIKey of 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine?
The InChIKey is HGCLDIGPBBTNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.C9H10N2.C5H4Br2N2.C5H6N2/c1-14(2,3)7-11-9-17-10-12(13(11)16)8-15(4,5)6;1-3-7-5-11-6-8(4-2)9(7)10;6-3-1-9-2-4(7)5(3)8;6-5-1-3-7-4-2-5/h9-10H,7-8H2,1-6H3,(H2,16,17);3-6H,1-2H2,(H2,10,11);1-2H,(H2,8,9);1-4H,(H2,6,7).
What are the key properties of 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-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 has a molecular weight of 726.61 g/mol, XLogP of 8.64, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine is sourced from PubChem (CID 158468947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).