ethane;propane;2,4,4-trimethylpyrrolidine

C12H29N — CID 144594134

IUPACethane;propane;2,4,4-trimethylpyrrolidine
SMILESCC.CC1CC(C)(C)CN1.CCC
InChIInChI=1S/C7H15N.C3H8.C2H6/c1-6-4-7(2,3)5-8-6;1-3-2;1-2/h6,8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyNUYIHZXIHOXNGA-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.84
Rot. Bonds

About ethane;propane;2,4,4-trimethylpyrrolidine

ethane;propane;2,4,4-trimethylpyrrolidine (PubChem CID 144594134) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;propane;2,4,4-trimethylpyrrolidine.

Molecular Properties

Compound Nameethane;propane;2,4,4-trimethylpyrrolidine
PubChem CID144594134
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;propane;2,4,4-trimethylpyrrolidine
SMILESCC.CC1CC(C)(C)CN1.CCC
InChIInChI=1S/C7H15N.C3H8.C2H6/c1-6-4-7(2,3)5-8-6;1-3-2;1-2/h6,8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyNUYIHZXIHOXNGA-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
4,4,5,5-tetrafluoro-2-methylpiperidine
CID 157309012
2,4-dimethyl-4-(2-methylpropyl)pyrrolidine
CID 166463716
2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
CID 145242282
2-iodo-4,4-dimethylpyrrolidine
CID 163758575
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine
CID 12637701
(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane
CID 155425689
6-methyl-1,3-dioxa-7-azaspiro[3.4]octane
CID 169199001
cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate
CID 10981759
2-ethyl-1,2,5-trimethylpiperazine
CID 64844336
5-ethyl-2,2,4,7,7-pentamethylazocane
CID 70943103

Frequently Asked Questions

What is the IUPAC name of ethane;propane;2,4,4-trimethylpyrrolidine?
The IUPAC name of ethane;propane;2,4,4-trimethylpyrrolidine (CID 144594134) is ethane;propane;2,4,4-trimethylpyrrolidine.
What is the SMILES notation for ethane;propane;2,4,4-trimethylpyrrolidine?
The canonical SMILES for ethane;propane;2,4,4-trimethylpyrrolidine is CC.CC1CC(C)(C)CN1.CCC.
What is the InChIKey of ethane;propane;2,4,4-trimethylpyrrolidine?
The InChIKey is NUYIHZXIHOXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C3H8.C2H6/c1-6-4-7(2,3)5-8-6;1-3-2;1-2/h6,8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;2,4,4-trimethylpyrrolidine?
ethane;propane;2,4,4-trimethylpyrrolidine has a molecular weight of 187.37 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;2,4,4-trimethylpyrrolidine is sourced from PubChem (CID 144594134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).