ethane;N-methyl-1-quinolin-5-ylmethanamine

C13H18N2 — CID 163296401

IUPACethane;N-methyl-1-quinolin-5-ylmethanamine
SMILESCC.CNCc1cccc2ncccc12
InChIInChI=1S/C11H12N2.C2H6/c1-12-8-9-4-2-6-11-10(9)5-3-7-13-11;1-2/h2-7,12H,8H2,1H3;1-2H3
InChIKeyVKGBIERAVQKFHU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.98
Rot. Bonds2

About ethane;N-methyl-1-quinolin-5-ylmethanamine

ethane;N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 163296401) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;N-methyl-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-quinolin-5-ylmethanamine
PubChem CID163296401
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Nameethane;N-methyl-1-quinolin-5-ylmethanamine
SMILESCC.CNCc1cccc2ncccc12
InChIInChI=1S/C11H12N2.C2H6/c1-12-8-9-4-2-6-11-10(9)5-3-7-13-11;1-2/h2-7,12H,8H2,1H3;1-2H3
InChIKeyVKGBIERAVQKFHU-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-quinolin-5-ylethanamine
CID 76694367
ethane;5-ethylquinoline
CID 143401043
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
1-(5-fluoro-2-quinolin-5-yloxyphenyl)-N-methylmethanamine
CID 103045289
N-methyl-1-[2-(quinolin-5-yloxymethyl)furan-3-yl]methanamine
CID 103045766
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
propan-2-yloxy-(quinolin-5-ylmethylamino)methanol
CID 167171231
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
propan-2-yl N-(quinolin-5-ylmethyl)carbamate
CID 135387719

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of ethane;N-methyl-1-quinolin-5-ylmethanamine (CID 163296401) is ethane;N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for ethane;N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for ethane;N-methyl-1-quinolin-5-ylmethanamine is CC.CNCc1cccc2ncccc12.
What is the InChIKey of ethane;N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is VKGBIERAVQKFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C2H6/c1-12-8-9-4-2-6-11-10(9)5-3-7-13-11;1-2/h2-7,12H,8H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1-quinolin-5-ylmethanamine?
ethane;N-methyl-1-quinolin-5-ylmethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 163296401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).