ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C14H27N — CID 156753885

IUPACethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC.CCC1(N2CC3CCCC3C2)CC1
InChIInChI=1S/C12H21N.C2H6/c1-2-12(6-7-12)13-8-10-4-3-5-11(10)9-13;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyDXHFWCAMXDXVPJ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds2

About ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 156753885) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Nameethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID156753885
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC.CCC1(N2CC3CCCC3C2)CC1
InChIInChI=1S/C12H21N.C2H6/c1-2-12(6-7-12)13-8-10-4-3-5-11(10)9-13;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyDXHFWCAMXDXVPJ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 156753885) is ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC.CCC1(N2CC3CCCC3C2)CC1.
What is the InChIKey of ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is DXHFWCAMXDXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C2H6/c1-2-12(6-7-12)13-8-10-4-3-5-11(10)9-13;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 209.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 156753885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).