2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene

C60H90N2S3 — CID 158936198

IUPAC2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene
SMILESC.C.C.C.C.C.C.Cc1cc(C2CC2)cs1.Cc1ccc(C2CC2)cn1.Cc1ccc(C2CC2)nc1.Cc1ccc(C2CC2)s1.Cc1ccc2ccccc2c1.Cc1csc(C2CC2)c1
InChIInChI=1S/C11H10.2C9H11N.3C8H10S.7CH4/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-2-5-9(10-6-7)8-3-4-8;1-7-2-3-9(6-10-7)8-4-5-8;1-6-2-5-8(9-6)7-3-4-7;1-6-4-8(5-9-6)7-2-3-7;1-6-4-8(9-5-6)7-2-3-7;;;;;;;/h2-8H,1H3;2,5-6,8H,3-4H2,1H3;2-3,6,8H,4-5H2,1H3;2,5,7H,3-4H2,1H3;2*4-5,7H,2-3H2,1H3;7*1H4
InChIKeyJJRHOCZTRAJNOA-UHFFFAOYSA-N
MW935.60 g/mol
LogP20.94
Rot. Bonds5

About 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene

2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene (PubChem CID 158936198) has the molecular formula C60H90N2S3 and a molecular weight of 935.60 g/mol. Its IUPAC name is 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene.

Molecular Properties

Compound Name2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene
PubChem CID158936198
Molecular FormulaC60H90N2S3
Molecular Weight935.60 g/mol
Exact Mass934.63
IUPAC Name2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene
SMILESC.C.C.C.C.C.C.Cc1cc(C2CC2)cs1.Cc1ccc(C2CC2)cn1.Cc1ccc(C2CC2)nc1.Cc1ccc(C2CC2)s1.Cc1ccc2ccccc2c1.Cc1csc(C2CC2)c1
InChIInChI=1S/C11H10.2C9H11N.3C8H10S.7CH4/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-2-5-9(10-6-7)8-3-4-8;1-7-2-3-9(6-10-7)8-4-5-8;1-6-2-5-8(9-6)7-3-4-7;1-6-4-8(5-9-6)7-2-3-7;1-6-4-8(9-5-6)7-2-3-7;;;;;;;/h2-8H,1H3;2,5-6,8H,3-4H2,1H3;2-3,6,8H,4-5H2,1H3;2,5,7H,3-4H2,1H3;2*4-5,7H,2-3H2,1H3;7*1H4
InChIKeyJJRHOCZTRAJNOA-UHFFFAOYSA-N
XLogP20.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.60
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene?
The IUPAC name of 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene (CID 158936198) is 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene.
What is the SMILES notation for 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene?
The canonical SMILES for 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene is C.C.C.C.C.C.C.Cc1cc(C2CC2)cs1.Cc1ccc(C2CC2)cn1.Cc1ccc(C2CC2)nc1.Cc1ccc(C2CC2)s1.Cc1ccc2ccccc2c1.Cc1csc(C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene?
The InChIKey is JJRHOCZTRAJNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.2C9H11N.3C8H10S.7CH4/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-2-5-9(10-6-7)8-3-4-8;1-7-2-3-9(6-10-7)8-4-5-8;1-6-2-5-8(9-6)7-3-4-7;1-6-4-8(5-9-6)7-2-3-7;1-6-4-8(9-5-6)7-2-3-7;;;;;;;/h2-8H,1H3;2,5-6,8H,3-4H2,1H3;2-3,6,8H,4-5H2,1H3;2,5,7H,3-4H2,1H3;2*4-5,7H,2-3H2,1H3;7*1H4.
What are the key properties of 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene?
2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene has a molecular weight of 935.60 g/mol, XLogP of 20.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene is sourced from PubChem (CID 158936198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).