(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C11H18N2 — CID 125062456

IUPAC(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCCN1[C@H](C)Cc2[nH]ccc2[C@@H]1C
InChIInChI=1S/C11H18N2/c1-4-13-8(2)7-11-10(9(13)3)5-6-12-11/h5-6,8-9,12H,4,7H2,1-3H3/t8-,9+/m1/s1
InChIKeyWIOQZWZXRPTPGU-BDAKNGLRSA-N
MW178.28 g/mol
LogP2.34
Rot. Bonds1

About (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 125062456) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID125062456
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCCN1[C@H](C)Cc2[nH]ccc2[C@@H]1C
InChIInChI=1S/C11H18N2/c1-4-13-8(2)7-11-10(9(13)3)5-6-12-11/h5-6,8-9,12H,4,7H2,1-3H3/t8-,9+/m1/s1
InChIKeyWIOQZWZXRPTPGU-BDAKNGLRSA-N
XLogP2.34
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062341
(4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062466
5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 85408520
6-ethyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 133168563
(6S)-6-ethyl-4-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 136859994
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine
CID 144929844
2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-4-yl)ethanamine
CID 82417410
1-ethyl-4-(1H-imidazol-2-yl)-2-methylpiperazine
CID 131162497
5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 84740286
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 68801801

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 125062456) is (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is CCN1[C@H](C)Cc2[nH]ccc2[C@@H]1C.
What is the InChIKey of (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is WIOQZWZXRPTPGU-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-13-8(2)7-11-10(9(13)3)5-6-12-11/h5-6,8-9,12H,4,7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 125062456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).