ethane;quinolin-8-amine

C11H14N2 — CID 91158659

IUPACethane;quinolin-8-amine
SMILESCC.Nc1cccc2cccnc12
InChIInChI=1S/C9H8N2.C2H6/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-2/h1-6H,10H2;1-2H3
InChIKeyANSROTSOCJMERU-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.84
Rot. Bonds

About ethane;quinolin-8-amine

ethane;quinolin-8-amine (PubChem CID 91158659) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is ethane;quinolin-8-amine.

Molecular Properties

Compound Nameethane;quinolin-8-amine
PubChem CID91158659
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Nameethane;quinolin-8-amine
SMILESCC.Nc1cccc2cccnc12
InChIInChI=1S/C9H8N2.C2H6/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-2/h1-6H,10H2;1-2H3
InChIKeyANSROTSOCJMERU-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylbenzamide;quinolin-8-amine
CID 174903342
naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc
CID 175008828
zinc;naphthalene-1,5-disulfonate;quinolin-8-amine
CID 175009147
8-chloroquinoline;ethane
CID 142246255
1,6-naphthyridin-8-amine
CID 55290958
4-quinolin-8-yloxyquinolin-8-amine
CID 130319854
2-chloroaniline;quinolin-8-ol
CID 70504979
1,7-naphthyridin-8-amine
CID 2737037
methanol;quinolin-8-ol
CID 161490698
6-methylsulfanylquinolin-8-amine
CID 57487958
benzo[h]quinoline-5,10-diamine
CID 121329472
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of ethane;quinolin-8-amine?
The IUPAC name of ethane;quinolin-8-amine (CID 91158659) is ethane;quinolin-8-amine.
What is the SMILES notation for ethane;quinolin-8-amine?
The canonical SMILES for ethane;quinolin-8-amine is CC.Nc1cccc2cccnc12.
What is the InChIKey of ethane;quinolin-8-amine?
The InChIKey is ANSROTSOCJMERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H6/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-2/h1-6H,10H2;1-2H3.
What are the key properties of ethane;quinolin-8-amine?
ethane;quinolin-8-amine has a molecular weight of 174.25 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;quinolin-8-amine is sourced from PubChem (CID 91158659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).