3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine

C24H49N3 — CID 157148540

IUPAC3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine
SMILESCC1CC2CCC(C1)N2C.CC1CCCN(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/C9H17N.C8H17N.C7H15N/c1-7-5-8-3-4-9(6-7)10(8)2;1-8-4-3-6-9(2)7-5-8;1-7-3-5-8(2)6-4-7/h7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyAKZIGLCJUARMGU-UHFFFAOYSA-N
MW379.68 g/mol
LogP4.97
Rot. Bonds

About 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine

3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine (PubChem CID 157148540) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine.

Molecular Properties

Compound Name3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine
PubChem CID157148540
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC Name3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine
SMILESCC1CC2CCC(C1)N2C.CC1CCCN(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/C9H17N.C8H17N.C7H15N/c1-7-5-8-3-4-9(6-7)10(8)2;1-8-4-3-6-9(2)7-5-8;1-7-3-5-8(2)6-4-7/h7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyAKZIGLCJUARMGU-UHFFFAOYSA-N
XLogP4.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine 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

(1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
CID 176562073
(1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
CID 176562348
(1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
CID 176562394
1-Azatricyclo[8.2.1.02,8]tridecane
CID 53795995
3-(1-Azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 66793174
(1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 69053054
8-Cycloundecyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 91413559
8-Methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-8-azabicyclo[3.2.1]octane
CID 91522363
3-Tert-butyl-8-ethyl-1-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)propyl]-8-azabicyclo[3.2.1]octane
CID 126539801
(1S,2R,5R)-3-[1-[1-tert-butyl-6-(2-methylpropyl)piperidin-3-yl]propan-2-yl]-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 129196508
8-[1-(1-Methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
CID 129209375
8-Tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
CID 129258369

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine?
The IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine (CID 157148540) is 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine.
What is the SMILES notation for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine?
The canonical SMILES for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine is CC1CC2CCC(C1)N2C.CC1CCCN(C)CC1.CC1CCN(C)CC1.
What is the InChIKey of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine?
The InChIKey is AKZIGLCJUARMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H17N.C7H15N/c1-7-5-8-3-4-9(6-7)10(8)2;1-8-4-3-6-9(2)7-5-8;1-7-3-5-8(2)6-4-7/h7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine?
3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine has a molecular weight of 379.68 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine is sourced from PubChem (CID 157148540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).