6-methyl-1-(4-methylpentyl)-2H-pyridine

C12H21N — CID 91378376

IUPAC6-methyl-1-(4-methylpentyl)-2H-pyridine
SMILESCC1=CC=CCN1CCCC(C)C
InChIInChI=1S/C12H21N/c1-11(2)7-6-10-13-9-5-4-8-12(13)3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyMTTDVFFJHDQCTR-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.20
Rot. Bonds4

About 6-methyl-1-(4-methylpentyl)-2H-pyridine

6-methyl-1-(4-methylpentyl)-2H-pyridine (PubChem CID 91378376) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-methyl-1-(4-methylpentyl)-2H-pyridine.

Molecular Properties

Compound Name6-methyl-1-(4-methylpentyl)-2H-pyridine
PubChem CID91378376
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-methyl-1-(4-methylpentyl)-2H-pyridine
SMILESCC1=CC=CCN1CCCC(C)C
InChIInChI=1S/C12H21N/c1-11(2)7-6-10-13-9-5-4-8-12(13)3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyMTTDVFFJHDQCTR-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylpentyl)-2H-pyridine?
The IUPAC name of 6-methyl-1-(4-methylpentyl)-2H-pyridine (CID 91378376) is 6-methyl-1-(4-methylpentyl)-2H-pyridine.
What is the SMILES notation for 6-methyl-1-(4-methylpentyl)-2H-pyridine?
The canonical SMILES for 6-methyl-1-(4-methylpentyl)-2H-pyridine is CC1=CC=CCN1CCCC(C)C.
What is the InChIKey of 6-methyl-1-(4-methylpentyl)-2H-pyridine?
The InChIKey is MTTDVFFJHDQCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11(2)7-6-10-13-9-5-4-8-12(13)3/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 6-methyl-1-(4-methylpentyl)-2H-pyridine?
6-methyl-1-(4-methylpentyl)-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylpentyl)-2H-pyridine is sourced from PubChem (CID 91378376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).