8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane

C19H35N — CID 91413559

IUPAC8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2C1CCCCCCCCCC1
InChIInChI=1S/C19H35N/c1-16-14-18-12-13-19(15-16)20(18)17-10-8-6-4-2-3-5-7-9-11-17/h16-19H,2-15H2,1H3
InChIKeyKQOCRJFCLNNOMM-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.53
Rot. Bonds1

About 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane

8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 91413559) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID91413559
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2C1CCCCCCCCCC1
InChIInChI=1S/C19H35N/c1-16-14-18-12-13-19(15-16)20(18)17-10-8-6-4-2-3-5-7-9-11-17/h16-19H,2-15H2,1H3
InChIKeyKQOCRJFCLNNOMM-UHFFFAOYSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-3-(1-methyl-pyrrolidin-2-yl)-piperidine
CID 44335229
1-[(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 51723276
3-(1-Methyl-pyrrolidin-2-yl)-1-octyl-piperidine
CID 44335442
6,8-Diethyl-5-propylindolizidine
CID 72760744
(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 15545699
(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 162913556
(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 162964490
(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 163106292
1-(1,5,9-Trimethyl-decyl)-piperidine
CID 44271489
(5R,8R)-8-Methyl-5-pentyloctahydroindolizine
CID 14265442
(1S,8aS)-1-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101688715
7-(4-Methylpentyl)indolizidine
CID 171396596

Frequently Asked Questions

What is the IUPAC name of 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane (CID 91413559) is 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1)N2C1CCCCCCCCCC1.
What is the InChIKey of 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is KQOCRJFCLNNOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-16-14-18-12-13-19(15-16)20(18)17-10-8-6-4-2-3-5-7-9-11-17/h16-19H,2-15H2,1H3.
What are the key properties of 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane?
8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 277.50 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 91413559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).