(1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane

C21H44N2 — CID 159654243

IUPAC(1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane
SMILESC.C.CC1C[C@H]2CC[C@@H](C1)N2C.CN1[C@@H]2CC[C@H]1CC(C)(C)C2
InChIInChI=1S/C10H19N.C9H17N.2CH4/c1-10(2)6-8-4-5-9(7-10)11(8)3;1-7-5-8-3-4-9(6-7)10(8)2;;/h8-9H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;2*1H4/t8-,9+;7?,8-,9+;;
InChIKeyMRYXVMQWQCNOPJ-MMPLZRCASA-N
MW324.60 g/mol
LogP5.42
Rot. Bonds

About (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane

(1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 159654243) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane
PubChem CID159654243
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name(1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane
SMILESC.C.CC1C[C@H]2CC[C@@H](C1)N2C.CN1[C@@H]2CC[C@H]1CC(C)(C)C2
InChIInChI=1S/C10H19N.C9H17N.2CH4/c1-10(2)6-8-4-5-9(7-10)11(8)3;1-7-5-8-3-4-9(6-7)10(8)2;;/h8-9H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;2*1H4/t8-,9+;7?,8-,9+;;
InChIKeyMRYXVMQWQCNOPJ-MMPLZRCASA-N
XLogP5.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane 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

(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
CID 126540948
(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)phosphane
CID 145265766
N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64731674
3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116922
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903
(1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
CID 98059828
3,5-dimethyl-1-(3,3,5-trimethylcyclohexyl)piperazine
CID 63863327
1,1,3-trimethylcyclobutane
CID 12656861
[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol
CID 129493314
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane (CID 159654243) is (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane is C.C.CC1C[C@H]2CC[C@@H](C1)N2C.CN1[C@@H]2CC[C@H]1CC(C)(C)C2.
What is the InChIKey of (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is MRYXVMQWQCNOPJ-MMPLZRCASA-N. The full InChI is InChI=1S/C10H19N.C9H17N.2CH4/c1-10(2)6-8-4-5-9(7-10)11(8)3;1-7-5-8-3-4-9(6-7)10(8)2;;/h8-9H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;2*1H4/t8-,9+;7?,8-,9+;;.
What are the key properties of (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 324.60 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 159654243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).