ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine

C21H49N3 — CID 162220715

IUPACethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine
SMILESCC.CC.CC.CN1CC2CC2C1.CN1CCC1.CN1CCCC1
InChIInChI=1S/C6H11N.C5H11N.C4H9N.3C2H6/c1-7-3-5-2-6(5)4-7;1-6-4-2-3-5-6;1-5-3-2-4-5;3*1-2/h5-6H,2-4H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1-2H3
InChIKeyZUBUXNJNORRUSE-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.68
Rot. Bonds

About ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine

ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine (PubChem CID 162220715) has the molecular formula C21H49N3 and a molecular weight of 343.64 g/mol. Its IUPAC name is ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine
PubChem CID162220715
Molecular FormulaC21H49N3
Molecular Weight343.64 g/mol
Exact Mass343.39
IUPAC Nameethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine
SMILESCC.CC.CC.CN1CC2CC2C1.CN1CCC1.CN1CCCC1
InChIInChI=1S/C6H11N.C5H11N.C4H9N.3C2H6/c1-7-3-5-2-6(5)4-7;1-6-4-2-3-5-6;1-5-3-2-4-5;3*1-2/h5-6H,2-4H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1-2H3
InChIKeyZUBUXNJNORRUSE-UHFFFAOYSA-N
XLogP4.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-azabicyclo[10.1.0]tridecane
CID 91079408
ethane;bis(1-methylpyrrolidine)
CID 153385238
3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine
CID 142484502
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
ethane;1-methylazonane
CID 145157770
N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 59398149
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1-methylpyrrolidine;phosphane
CID 159655297

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine?
The IUPAC name of ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine (CID 162220715) is ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine.
What is the SMILES notation for ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine?
The canonical SMILES for ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine is CC.CC.CC.CN1CC2CC2C1.CN1CCC1.CN1CCCC1.
What is the InChIKey of ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine?
The InChIKey is ZUBUXNJNORRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C5H11N.C4H9N.3C2H6/c1-7-3-5-2-6(5)4-7;1-6-4-2-3-5-6;1-5-3-2-4-5;3*1-2/h5-6H,2-4H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1-2H3.
What are the key properties of ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine?
ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine has a molecular weight of 343.64 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine is sourced from PubChem (CID 162220715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).