(3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine

C8H13N — CID 59584690

IUPAC(3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine
SMILESC=C1N=CC[C@@H](C)[C@H]1C
InChIInChI=1S/C8H13N/c1-6-4-5-9-8(3)7(6)2/h5-7H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyCXKOHPGFMWAWCK-RNFRBKRXSA-N
MW123.20 g/mol
LogP2.25
Rot. Bonds

About (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine

(3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine (PubChem CID 59584690) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine
PubChem CID59584690
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine
SMILESC=C1N=CC[C@@H](C)[C@H]1C
InChIInChI=1S/C8H13N/c1-6-4-5-9-8(3)7(6)2/h5-7H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyCXKOHPGFMWAWCK-RNFRBKRXSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
3,4,4a,5-Tetrahydro-1,7-naphthyridine
CID 90904655
3-methyl-N-(4-methylhex-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91286246
3-Ethyl-4-methyl-3,4-dihydropyridine
CID 118098199
(2S)-3-methyl-N-oct-1-en-2-yl-2-propan-2-ylpenta-3,4-dien-1-imine
CID 126592698
5-(2,3,4,5-Tetrahydropyridin-4-yl)hex-1-en-2-amine
CID 132124208
6-(3-Methylbutyl)-3,4-dihydropyridine
CID 142079078
4-Ethyl-3,6-dimethyl-3,4-dihydropyridine
CID 154676272
(4R)-4-propan-2-yl-3,4-dihydropyridine
CID 163994687
3-Methyl-4-propan-2-yl-3,4-dihydropyridine
CID 167065496

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine?
The IUPAC name of (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine (CID 59584690) is (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine.
What is the SMILES notation for (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine?
The canonical SMILES for (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine is C=C1N=CC[C@@H](C)[C@H]1C.
What is the InChIKey of (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine?
The InChIKey is CXKOHPGFMWAWCK-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-5-9-8(3)7(6)2/h5-7H,3-4H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine?
(3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine is sourced from PubChem (CID 59584690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).