ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

C18H40N2 — CID 142055313

IUPACethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESC.CC.CC.CC.CC1NC2=C(N=C[C@H](C)[C@@H]2C)C1C
InChIInChI=1S/C11H18N2.3C2H6.CH4/c1-6-5-12-10-8(3)9(4)13-11(10)7(6)2;3*1-2;/h5-9,13H,1-4H3;3*1-2H3;1H4/t6-,7-,8?,9?;;;;/m0..../s1
InChIKeyALVBKAONWMPZCD-BPDPHKOKSA-N
MW284.53 g/mol
LogP5.90
Rot. Bonds

About ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 142055313) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID142055313
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Nameethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESC.CC.CC.CC.CC1NC2=C(N=C[C@H](C)[C@@H]2C)C1C
InChIInChI=1S/C11H18N2.3C2H6.CH4/c1-6-5-12-10-8(3)9(4)13-11(10)7(6)2;3*1-2;/h5-9,13H,1-4H3;3*1-2H3;1H4/t6-,7-,8?,9?;;;;/m0..../s1
InChIKeyALVBKAONWMPZCD-BPDPHKOKSA-N
XLogP5.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (CID 142055313) is ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is C.CC.CC.CC.CC1NC2=C(N=C[C@H](C)[C@@H]2C)C1C.
What is the InChIKey of ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ALVBKAONWMPZCD-BPDPHKOKSA-N. The full InChI is InChI=1S/C11H18N2.3C2H6.CH4/c1-6-5-12-10-8(3)9(4)13-11(10)7(6)2;3*1-2;/h5-9,13H,1-4H3;3*1-2H3;1H4/t6-,7-,8?,9?;;;;/m0..../s1.
What are the key properties of ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 284.53 g/mol, XLogP of 5.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 142055313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).