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

C12H20N2 — CID 125062447

IUPAC(4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCC(C)[C@H]1c2cc[nH]c2C[C@H](C)N1C
InChIInChI=1S/C12H20N2/c1-8(2)12-10-5-6-13-11(10)7-9(3)14(12)4/h5-6,8-9,12-13H,7H2,1-4H3/t9-,12-/m0/s1
InChIKeyUNUBIPQUHWMMCX-CABZTGNLSA-N
MW192.31 g/mol
LogP2.59
Rot. Bonds1

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

(4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 125062447) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name(4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID125062447
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCC(C)[C@H]1c2cc[nH]c2C[C@H](C)N1C
InChIInChI=1S/C12H20N2/c1-8(2)12-10-5-6-13-11(10)7-9(3)14(12)4/h5-6,8-9,12-13H,7H2,1-4H3/t9-,12-/m0/s1
InChIKeyUNUBIPQUHWMMCX-CABZTGNLSA-N
XLogP2.59
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

(4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062466
(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062456
(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062341
N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine
CID 130918644
5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 85408520
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
CID 130260798
5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 84740286
(5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine
CID 11148735
6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine
CID 143582940
3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 64686607
5-propan-2-yl-4,5-dihydro-1H-indole
CID 176704614
1,2,4,6-tetramethyl-3,6-dihydro-2H-pyridine
CID 20692709

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 125062447) is (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is CC(C)[C@H]1c2cc[nH]c2C[C@H](C)N1C.
What is the InChIKey of (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is UNUBIPQUHWMMCX-CABZTGNLSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)12-10-5-6-13-11(10)7-9(3)14(12)4/h5-6,8-9,12-13H,7H2,1-4H3/t9-,12-/m0/s1.
What are the key properties of (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
(4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 192.31 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 125062447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).