ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine

C21H44N4 — CID 166167498

IUPACethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC.CC(C)N1C2CCC1CC(N)C2.CN1C2CCC1CC(CN)C2
InChIInChI=1S/C10H20N2.C9H18N2.C2H6/c1-7(2)12-9-3-4-10(12)6-8(11)5-9;1-11-8-2-3-9(11)5-7(4-8)6-10;1-2/h7-10H,3-6,11H2,1-2H3;7-9H,2-6,10H2,1H3;1-2H3
InChIKeyOENZSKLNJKNKCQ-UHFFFAOYSA-N
MW352.61 g/mol
LogP3.19
Rot. Bonds2

About ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine

ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 166167498) has the molecular formula C21H44N4 and a molecular weight of 352.61 g/mol. Its IUPAC name is ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Nameethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID166167498
Molecular FormulaC21H44N4
Molecular Weight352.61 g/mol
Exact Mass352.36
IUPAC Nameethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC.CC(C)N1C2CCC1CC(N)C2.CN1C2CCC1CC(CN)C2
InChIInChI=1S/C10H20N2.C9H18N2.C2H6/c1-7(2)12-9-3-4-10(12)6-8(11)5-9;1-11-8-2-3-9(11)5-7(4-8)6-10;1-2/h7-10H,3-6,11H2,1-2H3;7-9H,2-6,10H2,1H3;1-2H3
InChIKeyOENZSKLNJKNKCQ-UHFFFAOYSA-N
XLogP3.19
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

3-[4,4-Dimethyl-3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pentyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 58400651
8-Azabicyclo[3.2.1]octane-3-carbonitrile;8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 90747518
8-Methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-8-azabicyclo[3.2.1]octane
CID 91522363
2-Methyl-6-(8-methyl-2,8-diazaspiro[4.5]decan-3-yl)-2,9-diazaspiro[4.5]decane
CID 123273081
(1R,3R,5S)-1-(4-amino-1,4-dimethylpiperidin-2-yl)-4-[(1R,3R,5S)-3-amino-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 135182229
3-(1-Piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane
CID 135197051
3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane
CID 138616809
(1S,3S,5R)-4-(4-amino-1,4-dimethylpiperidin-3-yl)-1-[(1R,3R,5S)-3-amino-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 138742864
4-[4-(2-Aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine
CID 139572959
3-(1-Piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine
CID 141170659
8-[2-(1,8-Diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane
CID 146389075
3-Methyl-8-[2-(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 156279503

Frequently Asked Questions

What is the IUPAC name of ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine (CID 166167498) is ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine is CC.CC(C)N1C2CCC1CC(N)C2.CN1C2CCC1CC(CN)C2.
What is the InChIKey of ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OENZSKLNJKNKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C9H18N2.C2H6/c1-7(2)12-9-3-4-10(12)6-8(11)5-9;1-11-8-2-3-9(11)5-7(4-8)6-10;1-2/h7-10H,3-6,11H2,1-2H3;7-9H,2-6,10H2,1H3;1-2H3.
What are the key properties of ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 352.61 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 166167498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).