2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine

C13H20N2 — CID 154930732

IUPAC2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine
SMILESC=C/C=C(\C=C/CC)C1CCC(=C)N1N
InChIInChI=1S/C13H20N2/c1-4-6-8-12(7-5-2)13-10-9-11(3)15(13)14/h5-8,13H,2-4,9-10,14H2,1H3/b8-6-,12-7+
InChIKeyQMOJSQIXYOCGAI-LQNKLOEDSA-N
MW204.32 g/mol
LogP2.92
Rot. Bonds4

About 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine

2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine (PubChem CID 154930732) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine.

Molecular Properties

Compound Name2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine
PubChem CID154930732
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine
SMILESC=C/C=C(\C=C/CC)C1CCC(=C)N1N
InChIInChI=1S/C13H20N2/c1-4-6-8-12(7-5-2)13-10-9-11(3)15(13)14/h5-8,13H,2-4,9-10,14H2,1H3/b8-6-,12-7+
InChIKeyQMOJSQIXYOCGAI-LQNKLOEDSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z,6Z)-6,7-difluorohepta-2,4,6-trienyl]-N-methyl-2-[(2E)-3-methyl-4-(methylamino)penta-2,4-dien-2-yl]pyrrolidin-1-amine
CID 130243383
8-Methyl-7-azabicyclo[4.2.0]octa-1(6),4-dien-7-amine
CID 68248361
(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine
CID 89379521
4-Hepta-2,4-dien-4-yl-1-heptyl-1,3-dimethyltriazolidin-1-ium
CID 123173431
2-Ethyl-1-(4-ethylocta-2,4,6-trien-3-yl)pyrrolidine
CID 123503699
1-(5-Methyl-3-methylideneocta-1,4-dien-2-yl)-1-propan-2-ylhydrazine
CID 123999242
1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
CID 126712198
5-Methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole
CID 134195787
2,5,6-trimethyl-3-propyl-3a,4-dihydro-1H-benzotriazole
CID 134239617
(2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine
CID 138725681
2,5,6,7-Tetrahydrocyclopenta[b]pyridin-1-amine
CID 141130699
(2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine
CID 143496781

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine?
The IUPAC name of 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine (CID 154930732) is 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine.
What is the SMILES notation for 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine?
The canonical SMILES for 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine is C=C/C=C(\C=C/CC)C1CCC(=C)N1N.
What is the InChIKey of 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine?
The InChIKey is QMOJSQIXYOCGAI-LQNKLOEDSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-6-8-12(7-5-2)13-10-9-11(3)15(13)14/h5-8,13H,2-4,9-10,14H2,1H3/b8-6-,12-7+.
What are the key properties of 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine?
2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]pyrrolidin-1-amine is sourced from PubChem (CID 154930732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).