ethane;molecular hydrogen;quinolin-3-amine

C11H16N2 — CID 145187853

IUPACethane;molecular hydrogen;quinolin-3-amine
SMILESCC.Nc1cnc2ccccc2c1.[H][H]
InChIInChI=1S/C9H8N2.C2H6.H2/c10-8-5-7-3-1-2-4-9(7)11-6-8;1-2;/h1-6H,10H2;1-2H3;1H
InChIKeyDZUMTCXFGQGGFO-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.09
Rot. Bonds

About ethane;molecular hydrogen;quinolin-3-amine

ethane;molecular hydrogen;quinolin-3-amine (PubChem CID 145187853) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;molecular hydrogen;quinolin-3-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;quinolin-3-amine
PubChem CID145187853
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;molecular hydrogen;quinolin-3-amine
SMILESCC.Nc1cnc2ccccc2c1.[H][H]
InChIInChI=1S/C9H8N2.C2H6.H2/c10-8-5-7-3-1-2-4-9(7)11-6-8;1-2;/h1-6H,10H2;1-2H3;1H
InChIKeyDZUMTCXFGQGGFO-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloroquinolin-3-amine;quinolin-3-amine
CID 87752859
CID 174439431
CID 174439431
2-quinolin-3-ylaniline
CID 4134401
6-fluoroquinolin-3-amine
CID 22458712
acridine;ethane
CID 123684759
3-bromoquinoline;hydrobromide
CID 70190019
3-amino-1-benzazepin-5-one
CID 67614263
4-(quinolin-3-ylmethoxy)aniline
CID 19733697
3-quinolin-3-ylcyclobutan-1-amine
CID 116985150
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
3-(bromomethoxy)quinoline
CID 54277099
quinoline-3-sulfinamide
CID 167254753

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;quinolin-3-amine?
The IUPAC name of ethane;molecular hydrogen;quinolin-3-amine (CID 145187853) is ethane;molecular hydrogen;quinolin-3-amine.
What is the SMILES notation for ethane;molecular hydrogen;quinolin-3-amine?
The canonical SMILES for ethane;molecular hydrogen;quinolin-3-amine is CC.Nc1cnc2ccccc2c1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;quinolin-3-amine?
The InChIKey is DZUMTCXFGQGGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H6.H2/c10-8-5-7-3-1-2-4-9(7)11-6-8;1-2;/h1-6H,10H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;quinolin-3-amine?
ethane;molecular hydrogen;quinolin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;quinolin-3-amine is sourced from PubChem (CID 145187853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).