ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine

C14H27N — CID 142412235

IUPACethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine
SMILESC=C(/C=C\C)CCN1CCC(C)C1.CC
InChIInChI=1S/C12H21N.C2H6/c1-4-5-11(2)6-8-13-9-7-12(3)10-13;1-2/h4-5,12H,2,6-10H2,1,3H3;1-2H3/b5-4-;
InChIKeyFFPPEMNMAJWEEX-MKWAYWHRSA-N
MW209.38 g/mol
LogP3.88
Rot. Bonds4

About ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine

ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine (PubChem CID 142412235) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine.

Molecular Properties

Compound Nameethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine
PubChem CID142412235
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine
SMILESC=C(/C=C\C)CCN1CCC(C)C1.CC
InChIInChI=1S/C12H21N.C2H6/c1-4-5-11(2)6-8-13-9-7-12(3)10-13;1-2/h4-5,12H,2,6-10H2,1,3H3;1-2H3/b5-4-;
InChIKeyFFPPEMNMAJWEEX-MKWAYWHRSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-iodopent-4-enyl)-3-methylpyrrolidine
CID 155306683
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine
CID 156817438
1-[(Z,4Z)-4-ethylidenehept-5-enyl]-4-methylpiperidine
CID 143745628
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328360
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
1-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopropan-1-ol
CID 126995531
1-(3-methylpyrrolidin-1-yl)but-3-en-2-one
CID 167082770
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine?
The IUPAC name of ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine (CID 142412235) is ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine.
What is the SMILES notation for ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine?
The canonical SMILES for ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine is C=C(/C=C\C)CCN1CCC(C)C1.CC.
What is the InChIKey of ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine?
The InChIKey is FFPPEMNMAJWEEX-MKWAYWHRSA-N. The full InChI is InChI=1S/C12H21N.C2H6/c1-4-5-11(2)6-8-13-9-7-12(3)10-13;1-2/h4-5,12H,2,6-10H2,1,3H3;1-2H3/b5-4-;.
What are the key properties of ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine?
ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine is sourced from PubChem (CID 142412235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).