5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine

C14H21N — CID 88964796

IUPAC5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine
SMILESC=C(C)/C=C/C1=C(CC)C(C)C(N)C=C1
InChIInChI=1S/C14H21N/c1-5-13-11(4)14(15)9-8-12(13)7-6-10(2)3/h6-9,11,14H,2,5,15H2,1,3-4H3/b7-6+
InChIKeyHZONKBOGINAEDU-VOTSOKGWSA-N
MW203.33 g/mol
LogP3.36
Rot. Bonds3

About 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine

5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine (PubChem CID 88964796) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine
PubChem CID88964796
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine
SMILESC=C(C)/C=C/C1=C(CC)C(C)C(N)C=C1
InChIInChI=1S/C14H21N/c1-5-13-11(4)14(15)9-8-12(13)7-6-10(2)3/h6-9,11,14H,2,5,15H2,1,3-4H3/b7-6+
InChIKeyHZONKBOGINAEDU-VOTSOKGWSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine (CID 88964796) is 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine is C=C(C)/C=C/C1=C(CC)C(C)C(N)C=C1.
What is the InChIKey of 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is HZONKBOGINAEDU-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H21N/c1-5-13-11(4)14(15)9-8-12(13)7-6-10(2)3/h6-9,11,14H,2,5,15H2,1,3-4H3/b7-6+.
What are the key properties of 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine?
5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 88964796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).