(1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine

C20H25N — CID 143924448

IUPAC(1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\N(C)C(=C)C1=CC=CC1)/C=C/C(C)=C/C=C\C
InChIInChI=1S/C20H25N/c1-6-7-10-17(2)13-14-18(3)15-16-21(5)19(4)20-11-8-9-12-20/h6-11,13-16H,3-4,12H2,1-2,5H3/b7-6-,14-13+,16-15-,17-10+
InChIKeyFHALARNHBQPQMH-QIRLTFKWSA-N
MW279.43 g/mol
LogP5.47
Rot. Bonds7

About (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine

(1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine (PubChem CID 143924448) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine
PubChem CID143924448
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\N(C)C(=C)C1=CC=CC1)/C=C/C(C)=C/C=C\C
InChIInChI=1S/C20H25N/c1-6-7-10-17(2)13-14-18(3)15-16-21(5)19(4)20-11-8-9-12-20/h6-11,13-16H,3-4,12H2,1-2,5H3/b7-6-,14-13+,16-15-,17-10+
InChIKeyFHALARNHBQPQMH-QIRLTFKWSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine with MolForge

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Related Compounds

Pentalene, 1,3-bis(dimethylamino)-
CID 139825
Dimethylaminofulvene
CID 90007951
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(6E)-1-ethyl-6-ethylidene-2-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridine
CID 146385505
(2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine
CID 167067875
(Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine
CID 167172103
(2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole
CID 167270099
(Z)-2-[(2Z,4E)-5,7-dimethylocta-2,4,6-trien-4-yl]-N-(2-fluoropropan-2-yl)-N,N',N'-trimethylprop-1-ene-1,3-diamine
CID 169596199
(1E,4Z)-7-fluoro-N,2,8-trimethyl-6-methylidene-N-[(Z)-prop-1-enyl]cycloocta-1,4,7-trien-1-amine
CID 173853315

Frequently Asked Questions

What is the IUPAC name of (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine?
The IUPAC name of (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine (CID 143924448) is (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine.
What is the SMILES notation for (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine?
The canonical SMILES for (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine is C=C(/C=C\N(C)C(=C)C1=CC=CC1)/C=C/C(C)=C/C=C\C.
What is the InChIKey of (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine?
The InChIKey is FHALARNHBQPQMH-QIRLTFKWSA-N. The full InChI is InChI=1S/C20H25N/c1-6-7-10-17(2)13-14-18(3)15-16-21(5)19(4)20-11-8-9-12-20/h6-11,13-16H,3-4,12H2,1-2,5H3/b7-6-,14-13+,16-15-,17-10+.
What are the key properties of (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine?
(1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine has a molecular weight of 279.43 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine is sourced from PubChem (CID 143924448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).