(1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine

C13H17N — CID 88961282

IUPAC(1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine
SMILESC=C(C)/C=c1/c(C)ccc/c1=C(\C)N
InChIInChI=1S/C13H17N/c1-9(2)8-13-10(3)6-5-7-12(13)11(4)14/h5-8H,1,14H2,2-4H3/b12-11-,13-8-
InChIKeyIMYOOLVKCOFSIK-IILMVTAHSA-N
MW187.29 g/mol
LogP1.44
Rot. Bonds1

About (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine

(1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine (PubChem CID 88961282) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine.

Molecular Properties

Compound Name(1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine
PubChem CID88961282
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine
SMILESC=C(C)/C=c1/c(C)ccc/c1=C(\C)N
InChIInChI=1S/C13H17N/c1-9(2)8-13-10(3)6-5-7-12(13)11(4)14/h5-8H,1,14H2,2-4H3/b12-11-,13-8-
InChIKeyIMYOOLVKCOFSIK-IILMVTAHSA-N
XLogP1.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89202280
(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine
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CID 126499829
(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine
CID 126548960
6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine
CID 130456798
6-fluoro-2-methyl-5-[(2Z,4Z)-3-methylhexa-2,4-dienyl]cyclohexa-1,5-dien-1-amine
CID 132047167
(2E,5Z,7Z)-7,8-difluoro-3-[(1Z)-3-fluoro-2-methylbuta-1,3-dienyl]deca-2,5,7,9-tetraen-2-amine
CID 138511239
(3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine
CID 139543500
2-fluoro-5-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine
CID 153584278
(1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine
CID 155446083

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine?
The IUPAC name of (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine (CID 88961282) is (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine.
What is the SMILES notation for (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine?
The canonical SMILES for (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine is C=C(C)/C=c1/c(C)ccc/c1=C(\C)N.
What is the InChIKey of (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine?
The InChIKey is IMYOOLVKCOFSIK-IILMVTAHSA-N. The full InChI is InChI=1S/C13H17N/c1-9(2)8-13-10(3)6-5-7-12(13)11(4)14/h5-8H,1,14H2,2-4H3/b12-11-,13-8-.
What are the key properties of (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine?
(1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine has a molecular weight of 187.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine is sourced from PubChem (CID 88961282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).