9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane

C15H29N3 — CID 65472621

IUPAC9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC1CCN(C2CC3CCCC(C2)N3C)CCN1
InChIInChI=1S/C15H29N3/c1-12-6-8-18(9-7-16-12)15-10-13-4-3-5-14(11-15)17(13)2/h12-16H,3-11H2,1-2H3
InChIKeySNMUAPYAACZUDJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.69
Rot. Bonds1

About 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane

9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane (PubChem CID 65472621) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane
PubChem CID65472621
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC1CCN(C2CC3CCCC(C2)N3C)CCN1
InChIInChI=1S/C15H29N3/c1-12-6-8-18(9-7-16-12)15-10-13-4-3-5-14(11-15)17(13)2/h12-16H,3-11H2,1-2H3
InChIKeySNMUAPYAACZUDJ-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylcyclohexyl)-5-methyl-1,4-diazepane
CID 64731728
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane;trihydrochloride
CID 70298410
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79914133
3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 65471123
3-(3-tert-butyl-1,4-diazepan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 65470541
1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane
CID 131160325
1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
CID 64743687
9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65471309
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
(5S)-1,5-dimethyl-1,4-diazepane
CID 93492381
4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione
CID 65472441

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane (CID 65472621) is 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane is CC1CCN(C2CC3CCCC(C2)N3C)CCN1.
What is the InChIKey of 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane?
The InChIKey is SNMUAPYAACZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12-6-8-18(9-7-16-12)15-10-13-4-3-5-14(11-15)17(13)2/h12-16H,3-11H2,1-2H3.
What are the key properties of 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane?
9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane has a molecular weight of 251.42 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 65472621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).