(1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine

C12H17N — CID 137469972

IUPAC(1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine
SMILESC/C=c1/ccc([C@@H](C)N)c/c1=C/C
InChIInChI=1S/C12H17N/c1-4-10-6-7-12(9(3)13)8-11(10)5-2/h4-9H,13H2,1-3H3/b10-4-,11-5-/t9-/m1/s1
InChIKeyZLMRWADFXCUOFG-QBFOYEGXSA-N
MW175.27 g/mol
LogP1.31
Rot. Bonds1

About (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine

(1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine (PubChem CID 137469972) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine
PubChem CID137469972
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine
SMILESC/C=c1/ccc([C@@H](C)N)c/c1=C/C
InChIInChI=1S/C12H17N/c1-4-10-6-7-12(9(3)13)8-11(10)5-2/h4-9H,13H2,1-3H3/b10-4-,11-5-/t9-/m1/s1
InChIKeyZLMRWADFXCUOFG-QBFOYEGXSA-N
XLogP1.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine with MolForge

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Related Compounds

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1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine
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(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
2-amino-5-[(1R)-1-aminoethyl]phenol
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4-[(1R)-1-aminoethyl]pyridin-2-amine
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4-[(1R)-1-aminoethyl]-2-methylphenol
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CID 55271873

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine?
The IUPAC name of (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine (CID 137469972) is (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine?
The canonical SMILES for (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine is C/C=c1/ccc([C@@H](C)N)c/c1=C/C.
What is the InChIKey of (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine?
The InChIKey is ZLMRWADFXCUOFG-QBFOYEGXSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10-6-7-12(9(3)13)8-11(10)5-2/h4-9H,13H2,1-3H3/b10-4-,11-5-/t9-/m1/s1.
What are the key properties of (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine?
(1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine has a molecular weight of 175.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine is sourced from PubChem (CID 137469972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).