(3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine

C19H26N2 — CID 130286048

IUPAC(3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine
SMILESC=C(/C=C(\CC)C1C=CC=CC1)NC(=C)C1CNC(=C)C1
InChIInChI=1S/C19H26N2/c1-5-17(18-9-7-6-8-10-18)12-15(3)21-16(4)19-11-14(2)20-13-19/h6-9,12,18-21H,2-5,10-11,13H2,1H3/b17-12+
InChIKeyAHOSKAJUQQDWPI-SFQUDFHCSA-N
MW282.43 g/mol
LogP4.20
Rot. Bonds6

About (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine

(3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine (PubChem CID 130286048) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine
PubChem CID130286048
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine
SMILESC=C(/C=C(\CC)C1C=CC=CC1)NC(=C)C1CNC(=C)C1
InChIInChI=1S/C19H26N2/c1-5-17(18-9-7-6-8-10-18)12-15(3)21-16(4)19-11-14(2)20-13-19/h6-9,12,18-21H,2-5,10-11,13H2,1H3/b17-12+
InChIKeyAHOSKAJUQQDWPI-SFQUDFHCSA-N
XLogP4.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[1-[2,3-Dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrrolidin-3-yl]methanamine
CID 166688453
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CID 170212781
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CID 172728621
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CID 174319044
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CID 143684239
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CID 19879739
(6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
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Frequently Asked Questions

What is the IUPAC name of (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine?
The IUPAC name of (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine (CID 130286048) is (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine is C=C(/C=C(\CC)C1C=CC=CC1)NC(=C)C1CNC(=C)C1.
What is the InChIKey of (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine?
The InChIKey is AHOSKAJUQQDWPI-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-17(18-9-7-6-8-10-18)12-15(3)21-16(4)19-11-14(2)20-13-19/h6-9,12,18-21H,2-5,10-11,13H2,1H3/b17-12+.
What are the key properties of (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine?
(3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine has a molecular weight of 282.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-cyclohexa-2,4-dien-1-yl-N-[1-(5-methylidenepyrrolidin-3-yl)ethenyl]hexa-1,3-dien-2-amine is sourced from PubChem (CID 130286048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).