(2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine

C19H27NO — CID 89039026

IUPAC(2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(=C/C)NCC1=CC=CCC1)OC1CCCC1
InChIInChI=1S/C19H27NO/c1-3-18(20-15-17-9-5-4-6-10-17)14-13-16(2)21-19-11-7-8-12-19/h3-5,9,13-14,19-20H,2,6-8,10-12,15H2,1H3/b14-13-,18-3+
InChIKeyQKEOSQUXXUATGK-YZYWILNSSA-N
MW285.43 g/mol
LogP4.79
Rot. Bonds7

About (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine

(2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine (PubChem CID 89039026) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine
PubChem CID89039026
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(=C/C)NCC1=CC=CCC1)OC1CCCC1
InChIInChI=1S/C19H27NO/c1-3-18(20-15-17-9-5-4-6-10-17)14-13-16(2)21-19-11-7-8-12-19/h3-5,9,13-14,19-20H,2,6-8,10-12,15H2,1H3/b14-13-,18-3+
InChIKeyQKEOSQUXXUATGK-YZYWILNSSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine (CID 89039026) is (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine is C=C(/C=C\C(=C/C)NCC1=CC=CCC1)OC1CCCC1.
What is the InChIKey of (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine?
The InChIKey is QKEOSQUXXUATGK-YZYWILNSSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-18(20-15-17-9-5-4-6-10-17)14-13-16(2)21-19-11-7-8-12-19/h3-5,9,13-14,19-20H,2,6-8,10-12,15H2,1H3/b14-13-,18-3+.
What are the key properties of (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine?
(2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine has a molecular weight of 285.43 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 89039026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).