ethane;methyl(pyridin-2-ylmethyl)azanium

C9H17N2+ — CID 91331708

IUPACethane;methyl(pyridin-2-ylmethyl)azanium
SMILESCC.C[NH2+]Cc1ccccn1
InChIInChI=1S/C7H10N2.C2H6/c1-8-6-7-4-2-3-5-9-7;1-2/h2-5,8H,6H2,1H3;1-2H3/p+1
InChIKeyOORQRGZZLVEELX-UHFFFAOYSA-O
MW153.25 g/mol
LogP0.80
Rot. Bonds2

About ethane;methyl(pyridin-2-ylmethyl)azanium

ethane;methyl(pyridin-2-ylmethyl)azanium (PubChem CID 91331708) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is ethane;methyl(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Nameethane;methyl(pyridin-2-ylmethyl)azanium
PubChem CID91331708
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Nameethane;methyl(pyridin-2-ylmethyl)azanium
SMILESCC.C[NH2+]Cc1ccccn1
InChIInChI=1S/C7H10N2.C2H6/c1-8-6-7-4-2-3-5-9-7;1-2/h2-5,8H,6H2,1H3;1-2H3/p+1
InChIKeyOORQRGZZLVEELX-UHFFFAOYSA-O
XLogP0.80
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

oxido(pyridin-2-ylmethyl)azanium
CID 87207811
ethane;pyridin-2-ylmethanol
CID 91461493
ethane;2-ethylpyridine
CID 91102000
ethane;pyridin-2-ylmethanamine
CID 90791011
ethane;2-ethylpyridine;methane
CID 142439308
butyl(pyridin-2-ylmethyl)azanium
CID 40508011
ethane;2-ethylpyridine;propan-2-one
CID 91062133
2-ethylpyridine;sulfane
CID 67363352
pyridin-2-ylmethanol;vanadium
CID 176962038
[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7148326
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
acetylene;2-ethylpyridine
CID 145358493

Frequently Asked Questions

What is the IUPAC name of ethane;methyl(pyridin-2-ylmethyl)azanium?
The IUPAC name of ethane;methyl(pyridin-2-ylmethyl)azanium (CID 91331708) is ethane;methyl(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for ethane;methyl(pyridin-2-ylmethyl)azanium?
The canonical SMILES for ethane;methyl(pyridin-2-ylmethyl)azanium is CC.C[NH2+]Cc1ccccn1.
What is the InChIKey of ethane;methyl(pyridin-2-ylmethyl)azanium?
The InChIKey is OORQRGZZLVEELX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2.C2H6/c1-8-6-7-4-2-3-5-9-7;1-2/h2-5,8H,6H2,1H3;1-2H3/p+1.
What are the key properties of ethane;methyl(pyridin-2-ylmethyl)azanium?
ethane;methyl(pyridin-2-ylmethyl)azanium has a molecular weight of 153.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 91331708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).