(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine

C12H23N — CID 176727365

IUPAC(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
SMILESCC(C)[C@]12CCC[C@H]1N(C)CCC2
InChIInChI=1S/C12H23N/c1-10(2)12-7-4-6-11(12)13(3)9-5-8-12/h10-11H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyZGZLDYUFUNCILE-VXGBXAGGSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds1

About (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine

(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine (PubChem CID 176727365) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
PubChem CID176727365
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
SMILESCC(C)[C@]12CCC[C@H]1N(C)CCC2
InChIInChI=1S/C12H23N/c1-10(2)12-7-4-6-11(12)13(3)9-5-8-12/h10-11H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyZGZLDYUFUNCILE-VXGBXAGGSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol
CID 170564055
1-(1-methylpyrrolidin-2-yl)cyclopropan-1-amine
CID 84648581
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
(4aR,7aR)-4a-(ethoxymethyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 170572243
2-(1-methoxycyclopropyl)-1-methylpyrrolidine
CID 168995708
1-(1-methylpyrrolidin-2-yl)cyclohexan-1-amine
CID 115074075
(4aS,7aR)-4a-(disulfanyloxymethyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 175614429
1-(1-methylpiperidin-2-yl)cyclohexan-1-ol
CID 15758094
1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 143295904
1-methyl-4-(1-propan-2-ylcyclopropyl)piperidine
CID 177136653
(2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
CID 171415775
[1-(1-methylpiperidin-2-yl)cyclohexyl]methanamine
CID 153195636

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine?
The IUPAC name of (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine (CID 176727365) is (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine.
What is the SMILES notation for (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine?
The canonical SMILES for (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine is CC(C)[C@]12CCC[C@H]1N(C)CCC2.
What is the InChIKey of (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine?
The InChIKey is ZGZLDYUFUNCILE-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)12-7-4-6-11(12)13(3)9-5-8-12/h10-11H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine?
(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine has a molecular weight of 181.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine is sourced from PubChem (CID 176727365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).