8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole

C14H27N — CID 166956408

IUPAC8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole
SMILESCC(C)C1CCCCC2CCNC2CC1
InChIInChI=1S/C14H27N/c1-11(2)12-5-3-4-6-13-9-10-15-14(13)8-7-12/h11-15H,3-10H2,1-2H3
InChIKeyALYIJCHGJAGMRB-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds1

About 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole

8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole (PubChem CID 166956408) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole.

Molecular Properties

Compound Name8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole
PubChem CID166956408
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole
SMILESCC(C)C1CCCCC2CCNC2CC1
InChIInChI=1S/C14H27N/c1-11(2)12-5-3-4-6-13-9-10-15-14(13)8-7-12/h11-15H,3-10H2,1-2H3
InChIKeyALYIJCHGJAGMRB-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole?
The IUPAC name of 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole (CID 166956408) is 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole.
What is the SMILES notation for 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole?
The canonical SMILES for 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole is CC(C)C1CCCCC2CCNC2CC1.
What is the InChIKey of 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole?
The InChIKey is ALYIJCHGJAGMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)12-5-3-4-6-13-9-10-15-14(13)8-7-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole?
8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole has a molecular weight of 209.38 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole is sourced from PubChem (CID 166956408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).