ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine

C12H25N — CID 177053837

IUPACethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine
SMILESC=C(C(C)C)N1CCC(C)C1.CC
InChIInChI=1S/C10H19N.C2H6/c1-8(2)10(4)11-6-5-9(3)7-11;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyNBMRCMLWVQTMKQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.52
Rot. Bonds2

About ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine

ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine (PubChem CID 177053837) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Nameethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine
PubChem CID177053837
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine
SMILESC=C(C(C)C)N1CCC(C)C1.CC
InChIInChI=1S/C10H19N.C2H6/c1-8(2)10(4)11-6-5-9(3)7-11;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyNBMRCMLWVQTMKQ-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine
CID 159243068
N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide
CID 130703038
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
2-methyl-3-(3-methylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 114898189
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
3-methyl-N-(2-methylprop-2-enyl)pyrrolidine-1-carboxamide
CID 127013208
3-methyl-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one
CID 130627645
3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 170768798
2,3-dimethyl-4-(3-methylpyrrolidin-1-yl)-4-oxobutanoic acid
CID 103498005

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine?
The IUPAC name of ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine (CID 177053837) is ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine.
What is the SMILES notation for ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine?
The canonical SMILES for ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine is C=C(C(C)C)N1CCC(C)C1.CC.
What is the InChIKey of ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine?
The InChIKey is NBMRCMLWVQTMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-8(2)10(4)11-6-5-9(3)7-11;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine?
ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 177053837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).