(4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H27N — CID 174246096

IUPAC(4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(C)[C@H]1CCN(C(C)C)C2CCCC21
InChIInChI=1S/C14H27N/c1-10(2)12-8-9-15(11(3)4)14-7-5-6-13(12)14/h10-14H,5-9H2,1-4H3/t12-,13?,14?/m1/s1
InChIKeyYCCPFZIIZVAWDQ-IYXRBSQSSA-N
MW209.38 g/mol
LogP3.54
Rot. Bonds2

About (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

(4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 174246096) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name(4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID174246096
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(C)[C@H]1CCN(C(C)C)C2CCCC21
InChIInChI=1S/C14H27N/c1-10(2)12-8-9-15(11(3)4)14-7-5-6-13(12)14/h10-14H,5-9H2,1-4H3/t12-,13?,14?/m1/s1
InChIKeyYCCPFZIIZVAWDQ-IYXRBSQSSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine with MolForge

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Related Compounds

4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 89228890
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770
(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 170263057
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
2-propan-2-yl-7-sulfanyl-2,7-diazabicyclo[4.2.0]octane
CID 146439857
(2R,4S)-2-cyclopropyl-1,4-di(propan-2-yl)piperidine
CID 174295504
6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane
CID 167300749
10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane
CID 131972813
4-(1-propan-2-ylpyrrolidin-2-yl)piperidine
CID 66273659
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 164706311
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770

Frequently Asked Questions

What is the IUPAC name of (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 174246096) is (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CC(C)[C@H]1CCN(C(C)C)C2CCCC21.
What is the InChIKey of (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is YCCPFZIIZVAWDQ-IYXRBSQSSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)12-8-9-15(11(3)4)14-7-5-6-13(12)14/h10-14H,5-9H2,1-4H3/t12-,13?,14?/m1/s1.
What are the key properties of (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
(4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 209.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 174246096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).