ethane;2-methylbutan-2-amine;1-methylpyrrolidine

C12H30N2 — CID 167503292

IUPACethane;2-methylbutan-2-amine;1-methylpyrrolidine
SMILESCC.CCC(C)(C)N.CN1CCCC1
InChIInChI=1S/C5H11N.C5H13N.C2H6/c1-6-4-2-3-5-6;1-4-5(2,3)6;1-2/h2-5H2,1H3;4,6H2,1-3H3;1-2H3
InChIKeyXTNIBPMDXGIZKG-UHFFFAOYSA-N
MW202.39 g/mol
LogP2.87
Rot. Bonds1

About ethane;2-methylbutan-2-amine;1-methylpyrrolidine

ethane;2-methylbutan-2-amine;1-methylpyrrolidine (PubChem CID 167503292) has the molecular formula C12H30N2 and a molecular weight of 202.39 g/mol. Its IUPAC name is ethane;2-methylbutan-2-amine;1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;2-methylbutan-2-amine;1-methylpyrrolidine
PubChem CID167503292
Molecular FormulaC12H30N2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Nameethane;2-methylbutan-2-amine;1-methylpyrrolidine
SMILESCC.CCC(C)(C)N.CN1CCCC1
InChIInChI=1S/C5H11N.C5H13N.C2H6/c1-6-4-2-3-5-6;1-4-5(2,3)6;1-2/h2-5H2,1H3;4,6H2,1-3H3;1-2H3
InChIKeyXTNIBPMDXGIZKG-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethanamine;ethane;1-methylpiperidine
CID 177317211
ethane;bis(1-methylpyrrolidine)
CID 153385238
butane;1-methylpyrrolidine
CID 143371006
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
methanamine;1-methylazepane
CID 142229560
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1-methylpyrrolidine;phosphane
CID 159655297
1-methylpiperidine
CID 160757527
2-methylbutan-2-amine;propane
CID 91035545

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutan-2-amine;1-methylpyrrolidine?
The IUPAC name of ethane;2-methylbutan-2-amine;1-methylpyrrolidine (CID 167503292) is ethane;2-methylbutan-2-amine;1-methylpyrrolidine.
What is the SMILES notation for ethane;2-methylbutan-2-amine;1-methylpyrrolidine?
The canonical SMILES for ethane;2-methylbutan-2-amine;1-methylpyrrolidine is CC.CCC(C)(C)N.CN1CCCC1.
What is the InChIKey of ethane;2-methylbutan-2-amine;1-methylpyrrolidine?
The InChIKey is XTNIBPMDXGIZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H13N.C2H6/c1-6-4-2-3-5-6;1-4-5(2,3)6;1-2/h2-5H2,1H3;4,6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylbutan-2-amine;1-methylpyrrolidine?
ethane;2-methylbutan-2-amine;1-methylpyrrolidine has a molecular weight of 202.39 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutan-2-amine;1-methylpyrrolidine is sourced from PubChem (CID 167503292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).