6-cycloundecyl-6-methyldiazecane

C20H40N2 — CID 126582920

IUPAC6-cycloundecyl-6-methyldiazecane
SMILESCC1(C2CCCCCCCCCC2)CCCCNNCCC1
InChIInChI=1S/C20H40N2/c1-20(15-10-11-17-21-22-18-12-16-20)19-13-8-6-4-2-3-5-7-9-14-19/h19,21-22H,2-18H2,1H3
InChIKeyHGDYKFLFBPKBHG-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.58
Rot. Bonds1

About 6-cycloundecyl-6-methyldiazecane

6-cycloundecyl-6-methyldiazecane (PubChem CID 126582920) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 6-cycloundecyl-6-methyldiazecane.

Molecular Properties

Compound Name6-cycloundecyl-6-methyldiazecane
PubChem CID126582920
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name6-cycloundecyl-6-methyldiazecane
SMILESCC1(C2CCCCCCCCCC2)CCCCNNCCC1
InChIInChI=1S/C20H40N2/c1-20(15-10-11-17-21-22-18-12-16-20)19-13-8-6-4-2-3-5-7-9-14-19/h19,21-22H,2-18H2,1H3
InChIKeyHGDYKFLFBPKBHG-UHFFFAOYSA-N
XLogP5.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-cycloundecyl-6-methyldiazecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
3-cyclohexyl-3-methylpiperidine;hydrochloride
CID 69054070
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
4-cyclohexyl-4-methyloxane
CID 58667675
(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71362985
4-(1-methylcyclopentyl)cyclohexan-1-ol
CID 69367175
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
4-cyclopropyl-4-methylpiperidine
CID 63156417
(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 640677
5-cyclohexyl-5-methyl-1,3-dioxane
CID 70232095
3,7-dimethyl-5-(1-methylcycloundecyl)azocane
CID 155407572

Frequently Asked Questions

What is the IUPAC name of 6-cycloundecyl-6-methyldiazecane?
The IUPAC name of 6-cycloundecyl-6-methyldiazecane (CID 126582920) is 6-cycloundecyl-6-methyldiazecane.
What is the SMILES notation for 6-cycloundecyl-6-methyldiazecane?
The canonical SMILES for 6-cycloundecyl-6-methyldiazecane is CC1(C2CCCCCCCCCC2)CCCCNNCCC1.
What is the InChIKey of 6-cycloundecyl-6-methyldiazecane?
The InChIKey is HGDYKFLFBPKBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-20(15-10-11-17-21-22-18-12-16-20)19-13-8-6-4-2-3-5-7-9-14-19/h19,21-22H,2-18H2,1H3.
What are the key properties of 6-cycloundecyl-6-methyldiazecane?
6-cycloundecyl-6-methyldiazecane has a molecular weight of 308.55 g/mol, XLogP of 5.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloundecyl-6-methyldiazecane is sourced from PubChem (CID 126582920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).