(2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine

C15H26N2 — CID 130329380

IUPAC(2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine
SMILESC/C=C\C(=C/C=C(\C)NC)CN1CCC(C)C1
InChIInChI=1S/C15H26N2/c1-5-6-15(8-7-14(3)16-4)12-17-10-9-13(2)11-17/h5-8,13,16H,9-12H2,1-4H3/b6-5-,14-7+,15-8+
InChIKeyIKISHJZHGHWKRB-KDOABTCHSA-N
MW234.39 g/mol
LogP2.95
Rot. Bonds5

About (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine

(2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine (PubChem CID 130329380) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine
PubChem CID130329380
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine
SMILESC/C=C\C(=C/C=C(\C)NC)CN1CCC(C)C1
InChIInChI=1S/C15H26N2/c1-5-6-15(8-7-14(3)16-4)12-17-10-9-13(2)11-17/h5-8,13,16H,9-12H2,1-4H3/b6-5-,14-7+,15-8+
InChIKeyIKISHJZHGHWKRB-KDOABTCHSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine with MolForge

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Related Compounds

1-[1-[(4E)-8,8-difluoronona-4,6-dien-4-yl]pyrrolidin-3-yl]-N-methylethenamine
CID 139332605
ethane;(2E,4E)-N-ethyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine;N-methyl-1-[5-(1-pyrrolidin-1-ylethenyl)cyclohepta-1,4,6-trien-1-yl]ethenamine;propane
CID 143115653
(4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine
CID 155001776
(3E,5E)-N-(3-fluoro-3-methylbutan-2-yl)-3,7-dimethyl-6-(3-methylpyrrolidin-1-yl)octa-1,3,5,7-tetraen-2-amine
CID 155002126
(3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine
CID 166158084
2-fluoro-1-N-[(4Z,6E)-7-methyl-3-methylidene-6-[(3S)-3-methylpyrrolidin-1-yl]nona-1,4,6-trien-2-yl]propane-1,2-diamine
CID 173873359
5-methyl-2-propyl-3a,7a-dihydro-1H-indole
CID 20708622
4-(Pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)
CID 58945672
2-Methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
CID 67976422
(4R)-2-methylidene-4-(2-methylprop-1-enyl)pyrrolidine
CID 68009516
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]ethanamine
CID 68019176
2-Methylidene-5-propan-2-yl-1,3,3a,7a-tetrahydroindole
CID 68187001

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine (CID 130329380) is (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine is C/C=C\C(=C/C=C(\C)NC)CN1CCC(C)C1.
What is the InChIKey of (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine?
The InChIKey is IKISHJZHGHWKRB-KDOABTCHSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-15(8-7-14(3)16-4)12-17-10-9-13(2)11-17/h5-8,13,16H,9-12H2,1-4H3/b6-5-,14-7+,15-8+.
What are the key properties of (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine?
(2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine has a molecular weight of 234.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine is sourced from PubChem (CID 130329380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).