(4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine

C11H18N2 — CID 99941407

IUPAC(4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
SMILESCC1=N[C@@H]2[C@@H](N=C1C)[C@H](C)C[C@H]2C
InChIInChI=1S/C11H18N2/c1-6-5-7(2)11-10(6)12-8(3)9(4)13-11/h6-7,10-11H,5H2,1-4H3/t6-,7-,10+,11+/m1/s1
InChIKeyDXAPDPKCNTZGKA-QPYBSBGSSA-N
MW178.28 g/mol
LogP2.33
Rot. Bonds

About (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine

(4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine (PubChem CID 99941407) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name(4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
PubChem CID99941407
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
SMILESCC1=N[C@@H]2[C@@H](N=C1C)[C@H](C)C[C@H]2C
InChIInChI=1S/C11H18N2/c1-6-5-7(2)11-10(6)12-8(3)9(4)13-11/h6-7,10-11H,5H2,1-4H3/t6-,7-,10+,11+/m1/s1
InChIKeyDXAPDPKCNTZGKA-QPYBSBGSSA-N
XLogP2.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine with MolForge

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Related Compounds

trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
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CID 58443772
1-(2-methylcyclopropyl)-1-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
CID 130690383
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
5,6-dimethyl-2,3-dihydropyrazin-2-amine
CID 134485839
(1R,4R,8S)-3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
CID 163031522
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
2,4,6-trimethylbicyclo[3.2.0]hept-6-ene
CID 140744429
2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 130621431

Frequently Asked Questions

What is the IUPAC name of (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The IUPAC name of (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine (CID 99941407) is (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine.
What is the SMILES notation for (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The canonical SMILES for (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine is CC1=N[C@@H]2[C@@H](N=C1C)[C@H](C)C[C@H]2C.
What is the InChIKey of (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The InChIKey is DXAPDPKCNTZGKA-QPYBSBGSSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-5-7(2)11-10(6)12-8(3)9(4)13-11/h6-7,10-11H,5H2,1-4H3/t6-,7-,10+,11+/m1/s1.
What are the key properties of (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
(4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,7R,7aS)-2,3,5,7-tetramethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine is sourced from PubChem (CID 99941407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).