3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane

C25H53N3 — CID 158806745

IUPAC3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane
SMILESC.CC1CC2CCC(C1)N2C.CC1CCN(C)CC1.C[C@H]1CCCN(C)CC1
InChIInChI=1S/C9H17N.C8H17N.C7H15N.CH4/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;1H4/t;8-;;/m.0../s1
InChIKeyIUDZWOWYFRHJRL-ZKYCOHFOSA-N
MW395.72 g/mol
LogP5.60
Rot. Bonds

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

3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane (PubChem CID 158806745) has the molecular formula C25H53N3 and a molecular weight of 395.72 g/mol. Its IUPAC name is 3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane.

Molecular Properties

Compound Name3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane
PubChem CID158806745
Molecular FormulaC25H53N3
Molecular Weight395.72 g/mol
Exact Mass395.42
IUPAC Name3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane
SMILESC.CC1CC2CCC(C1)N2C.CC1CCN(C)CC1.C[C@H]1CCCN(C)CC1
InChIInChI=1S/C9H17N.C8H17N.C7H15N.CH4/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;1H4/t;8-;;/m.0../s1
InChIKeyIUDZWOWYFRHJRL-ZKYCOHFOSA-N
XLogP5.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane with MolForge

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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;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane?
The IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane (CID 158806745) is 3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane.
What is the SMILES notation for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane?
The canonical SMILES for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane is C.CC1CC2CCC(C1)N2C.CC1CCN(C)CC1.C[C@H]1CCCN(C)CC1.
What is the InChIKey of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane?
The InChIKey is IUDZWOWYFRHJRL-ZKYCOHFOSA-N. The full InChI is InChI=1S/C9H17N.C8H17N.C7H15N.CH4/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;1H4/t;8-;;/m.0../s1.
What are the key properties of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane?
3,8-dimethyl-8-azabicyclo[3.2.1]octane;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane has a molecular weight of 395.72 g/mol, XLogP of 5.60, 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;(4S)-1,4-dimethylazepane;1,4-dimethylpiperidine;methane is sourced from PubChem (CID 158806745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).