4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine

C13H24N2 — CID 143216266

IUPAC4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine
SMILESCC1=C(C)NCC1.CC1=C(C)NCCC1
InChIInChI=1S/C7H13N.C6H11N/c1-6-4-3-5-8-7(6)2;1-5-3-4-7-6(5)2/h8H,3-5H2,1-2H3;7H,3-4H2,1-2H3
InChIKeyHQYCOWJGYOORIX-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.94
Rot. Bonds

About 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine

4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine (PubChem CID 143216266) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine
PubChem CID143216266
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine
SMILESCC1=C(C)NCC1.CC1=C(C)NCCC1
InChIInChI=1S/C7H13N.C6H11N/c1-6-4-3-5-8-7(6)2;1-5-3-4-7-6(5)2/h8H,3-5H2,1-2H3;7H,3-4H2,1-2H3
InChIKeyHQYCOWJGYOORIX-UHFFFAOYSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-dimethyl-1,2,3,4-tetrahydropyridin-6-amine
CID 147619545
5,6-dimethyl-1,2,3,4-tetrahydropyrazine
CID 55287033
(1Z)-1,2-dimethyl-3,4,5,6-tetrahydro-3-benzazocine
CID 118586766
6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine
CID 164553852
ethane;pyrrolidin-2-one
CID 54451151
5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134374788
1,2-dimethylcyclopentene;molecular fluorine
CID 157100565
5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 103585426
3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 126628101
(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine
CID 142348356
astatane;pyrrolidin-2-one
CID 174831438
arsane;pyrrolidin-2-one
CID 174413202

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine (CID 143216266) is 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine is CC1=C(C)NCC1.CC1=C(C)NCCC1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine?
The InChIKey is HQYCOWJGYOORIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H11N/c1-6-4-3-5-8-7(6)2;1-5-3-4-7-6(5)2/h8H,3-5H2,1-2H3;7H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine?
4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine has a molecular weight of 208.35 g/mol, XLogP of 2.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 143216266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).