ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine

C22H35BN2O2 — CID 156647460

IUPACethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
SMILESCC.CCCCCc1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2nc1N
InChIInChI=1S/C20H29BN2O2.C2H6/c1-6-7-8-9-15-12-14-10-11-16(13-17(14)23-18(15)22)21-24-19(2,3)20(4,5)25-21;1-2/h10-13H,6-9H2,1-5H3,(H2,22,23);1-2H3
InChIKeyZIKKBZKYSONCLR-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.88
Rot. Bonds5

About ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine

ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine (PubChem CID 156647460) has the molecular formula C22H35BN2O2 and a molecular weight of 370.35 g/mol. Its IUPAC name is ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Nameethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
PubChem CID156647460
Molecular FormulaC22H35BN2O2
Molecular Weight370.35 g/mol
Exact Mass370.28
IUPAC Nameethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
SMILESCC.CCCCCc1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2nc1N
InChIInChI=1S/C20H29BN2O2.C2H6/c1-6-7-8-9-15-12-14-10-11-16(13-17(14)23-18(15)22)21-24-19(2,3)20(4,5)25-21;1-2/h10-13H,6-9H2,1-5H3,(H2,22,23);1-2H3
InChIKeyZIKKBZKYSONCLR-UHFFFAOYSA-N
XLogP4.88
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine with MolForge

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Related Compounds

2-Aminoquinoline
CID 11379
4-Methylquinolin-2-amine
CID 231935
6-Aminophenanthridine
CID 160547
5-(4-Azanylbutyl)-3-Pentyl-Quinolin-2-Amine
CID 121231448
2-(4-Methylquinolin-2-yl)guanidine
CID 9920663
3-Pentyl-2-quinolinamine
CID 86302334
5-(3-Aminopropyl)-3-pentylquinolin-2-amine
CID 122192098
5-(5-Aminopentyl)-3-pentylquinolin-2-amine
CID 122192099
5-(6-Aminohexyl)-3-pentylquinolin-2-amine
CID 122192100
6-(4-Aminobutyl)-3-pentylquinolin-2-amine
CID 122192103
6-(5-Aminopentyl)-3-pentylquinolin-2-amine
CID 122192104
7-(4-Aminobutyl)-3-pentylquinolin-2-amine
CID 122192106

Frequently Asked Questions

What is the IUPAC name of ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The IUPAC name of ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine (CID 156647460) is ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine.
What is the SMILES notation for ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The canonical SMILES for ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine is CC.CCCCCc1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2nc1N.
What is the InChIKey of ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The InChIKey is ZIKKBZKYSONCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BN2O2.C2H6/c1-6-7-8-9-15-12-14-10-11-16(13-17(14)23-18(15)22)21-24-19(2,3)20(4,5)25-21;1-2/h10-13H,6-9H2,1-5H3,(H2,22,23);1-2H3.
What are the key properties of ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine has a molecular weight of 370.35 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-pentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine is sourced from PubChem (CID 156647460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).