ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine

C11H24N2 — CID 143994230

IUPACethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
SMILESCC.CC/C(=C\NC)C1CCNC1
InChIInChI=1S/C9H18N2.C2H6/c1-3-8(6-10-2)9-4-5-11-7-9;1-2/h6,9-11H,3-5,7H2,1-2H3;1-2H3/b8-6+;
InChIKeySRQCTQGKVVVGKR-WVLIHFOGSA-N
MW184.33 g/mol
LogP2.14
Rot. Bonds3

About ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine

ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine (PubChem CID 143994230) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
PubChem CID143994230
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
SMILESCC.CC/C(=C\NC)C1CCNC1
InChIInChI=1S/C9H18N2.C2H6/c1-3-8(6-10-2)9-4-5-11-7-9;1-2/h6,9-11H,3-5,7H2,1-2H3;1-2H3/b8-6+;
InChIKeySRQCTQGKVVVGKR-WVLIHFOGSA-N
XLogP2.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-but-2-en-2-yl]pyrrolidine
CID 122236928
3-methylidene-1-pyrrolidin-3-ylpentan-1-one
CID 116568451
N-cyclopentyl-N-ethylpyrrolidine-3-carboxamide;hydrochloride
CID 119722120
N-ethoxypyrrolidine-3-carboxamide
CID 64974765
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 131089746
(3S)-N-(1-ethylcyclobutyl)pyrrolidine-3-carboxamide
CID 130635677
methyl pyrrolidine-3-carboxylate
CID 4114360
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine?
The IUPAC name of ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine (CID 143994230) is ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine.
What is the SMILES notation for ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine?
The canonical SMILES for ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine is CC.CC/C(=C\NC)C1CCNC1.
What is the InChIKey of ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine?
The InChIKey is SRQCTQGKVVVGKR-WVLIHFOGSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-3-8(6-10-2)9-4-5-11-7-9;1-2/h6,9-11H,3-5,7H2,1-2H3;1-2H3/b8-6+;.
What are the key properties of ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine?
ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine has a molecular weight of 184.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine is sourced from PubChem (CID 143994230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).