(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C10H19N — CID 160776877

IUPAC(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC1(C)CN[C@H]2CCC[C@@H]2C1
InChIInChI=1S/C10H19N/c1-10(2)6-8-4-3-5-9(8)11-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeySABDBXSOEXCIDR-BDAKNGLRSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds

About (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 160776877) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID160776877
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC1(C)CN[C@H]2CCC[C@@H]2C1
InChIInChI=1S/C10H19N/c1-10(2)6-8-4-3-5-9(8)11-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeySABDBXSOEXCIDR-BDAKNGLRSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine with MolForge

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Related Compounds

Octahydro-1H-cyclopenta(b)pyridine
CID 98448
2-Cyclopentylpiperidine
CID 4646584
octahydro-1H-cyclopenta(b)pyridine hydrochloride
CID 2831833
1-methyl-octahydro-1H-cyclopenta(b)pyridin-4-amine
CID 82416483
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 1380800
trans-Octahydro-1-pyrindine
CID 1380801
trans-octahydro-1H-1-pyrindine
CID 1380802
trans-2-Butyl-4-tert-butylpiperidin
CID 129646957
(3S,7R,8aR)-3,7-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium chloride
CID 139090287
(5S,8R,8aS)-8-methyl-5-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium chloride
CID 139120875
4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 105428502
5-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 105428503

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 160776877) is (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CC1(C)CN[C@H]2CCC[C@@H]2C1.
What is the InChIKey of (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is SABDBXSOEXCIDR-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19N/c1-10(2)6-8-4-3-5-9(8)11-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 153.27 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 160776877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).