ethane;2-methyl-4-(1-methylcyclopropyl)pyridine

C12H19N — CID 172609013

IUPACethane;2-methyl-4-(1-methylcyclopropyl)pyridine
SMILESCC.Cc1cc(C2(C)CC2)ccn1
InChIInChI=1S/C10H13N.C2H6/c1-8-7-9(3-6-11-8)10(2)4-5-10;1-2/h3,6-7H,4-5H2,1-2H3;1-2H3
InChIKeyFVUCYKBMALJJCN-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.47
Rot. Bonds1

About ethane;2-methyl-4-(1-methylcyclopropyl)pyridine

ethane;2-methyl-4-(1-methylcyclopropyl)pyridine (PubChem CID 172609013) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;2-methyl-4-(1-methylcyclopropyl)pyridine.

Molecular Properties

Compound Nameethane;2-methyl-4-(1-methylcyclopropyl)pyridine
PubChem CID172609013
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;2-methyl-4-(1-methylcyclopropyl)pyridine
SMILESCC.Cc1cc(C2(C)CC2)ccn1
InChIInChI=1S/C10H13N.C2H6/c1-8-7-9(3-6-11-8)10(2)4-5-10;1-2/h3,6-7H,4-5H2,1-2H3;1-2H3
InChIKeyFVUCYKBMALJJCN-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(1-methylcyclopropyl)pyridine?
The IUPAC name of ethane;2-methyl-4-(1-methylcyclopropyl)pyridine (CID 172609013) is ethane;2-methyl-4-(1-methylcyclopropyl)pyridine.
What is the SMILES notation for ethane;2-methyl-4-(1-methylcyclopropyl)pyridine?
The canonical SMILES for ethane;2-methyl-4-(1-methylcyclopropyl)pyridine is CC.Cc1cc(C2(C)CC2)ccn1.
What is the InChIKey of ethane;2-methyl-4-(1-methylcyclopropyl)pyridine?
The InChIKey is FVUCYKBMALJJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-8-7-9(3-6-11-8)10(2)4-5-10;1-2/h3,6-7H,4-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-4-(1-methylcyclopropyl)pyridine?
ethane;2-methyl-4-(1-methylcyclopropyl)pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(1-methylcyclopropyl)pyridine is sourced from PubChem (CID 172609013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).