(3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine

C17H24N2 — CID 142233041

IUPAC(3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine
SMILESC/C=C(/C=C\CC)\C=C(N)/C(C)=N/CC1=CC=CC1
InChIInChI=1S/C17H24N2/c1-4-6-9-15(5-2)12-17(18)14(3)19-13-16-10-7-8-11-16/h5-10,12H,4,11,13,18H2,1-3H3/b9-6-,15-5-,17-12+,19-14+
InChIKeyYOFUOKMIGCLFNG-GQFHSNDOSA-N
MW256.39 g/mol
LogP4.09
Rot. Bonds6

About (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine

(3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine (PubChem CID 142233041) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine.

Molecular Properties

Compound Name(3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine
PubChem CID142233041
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine
SMILESC/C=C(/C=C\CC)\C=C(N)/C(C)=N/CC1=CC=CC1
InChIInChI=1S/C17H24N2/c1-4-6-9-15(5-2)12-17(18)14(3)19-13-16-10-7-8-11-16/h5-10,12H,4,11,13,18H2,1-3H3/b9-6-,15-5-,17-12+,19-14+
InChIKeyYOFUOKMIGCLFNG-GQFHSNDOSA-N
XLogP4.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine with MolForge

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Related Compounds

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
1-(2H-azepin-3-yl)-3-[(2Z,4Z)-2-(1-fluoroethyl)hepta-2,4,6-trienyl]iminobut-1-en-1-amine
CID 173690463
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
2,3-dimethyl-2H-indol-7-amine
CID 57886642
2H-indol-6-amine
CID 59274943
2,3-dimethyl-4-[2-(1-methyl-3H-pyrrol-1-ium-2-yl)ethenyl]cyclopenta-1,3-dien-1-amine
CID 59977918
2-Ethylporphyrin
CID 66605417
2-Porphyrin-2-ylethanamine
CID 66810021
1-Porphyrin-2-ylethanamine
CID 67918883
2-Ethyl-4-methylideneindol-3-amine
CID 88747308

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine?
The IUPAC name of (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine (CID 142233041) is (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine.
What is the SMILES notation for (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine?
The canonical SMILES for (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine is C/C=C(/C=C\CC)\C=C(N)/C(C)=N/CC1=CC=CC1.
What is the InChIKey of (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine?
The InChIKey is YOFUOKMIGCLFNG-GQFHSNDOSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-6-9-15(5-2)12-17(18)14(3)19-13-16-10-7-8-11-16/h5-10,12H,4,11,13,18H2,1-3H3/b9-6-,15-5-,17-12+,19-14+.
What are the key properties of (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine?
(3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine has a molecular weight of 256.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,6Z)-2-(cyclopenta-1,3-dien-1-ylmethylimino)-5-ethylidenenona-3,6-dien-3-amine is sourced from PubChem (CID 142233041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).