7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine

C14H23N — CID 123995153

IUPAC7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine
SMILESCC1(C)CCCCC2N=CC=CC2CC1
InChIInChI=1S/C14H23N/c1-14(2)9-4-3-7-13-12(8-10-14)6-5-11-15-13/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyTXCVIPANZLRAEM-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.99
Rot. Bonds

About 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine

7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine (PubChem CID 123995153) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine.

Molecular Properties

Compound Name7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine
PubChem CID123995153
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine
SMILESCC1(C)CCCCC2N=CC=CC2CC1
InChIInChI=1S/C14H23N/c1-14(2)9-4-3-7-13-12(8-10-14)6-5-11-15-13/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyTXCVIPANZLRAEM-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67707010
CID 67707010
CID 68391164
CID 68391164
CID 70585406
CID 70585406
CID 71069576
CID 71069576
CID 89973111
CID 89973111
CID 89987468
CID 89987468
CID 90689047
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CID 91141786
CID 91141786

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine?
The IUPAC name of 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine (CID 123995153) is 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine.
What is the SMILES notation for 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine?
The canonical SMILES for 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine is CC1(C)CCCCC2N=CC=CC2CC1.
What is the InChIKey of 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine?
The InChIKey is TXCVIPANZLRAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-14(2)9-4-3-7-13-12(8-10-14)6-5-11-15-13/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine?
7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine has a molecular weight of 205.34 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4a,5,6,8,9,10,11,11a-octahydrocyclonona[b]pyridine is sourced from PubChem (CID 123995153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).