6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine

C15H20FN — CID 130456798

IUPAC6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine
SMILESC=C(/C=C(C)\C=C/C)C1=C(F)C(N)=C(C)CC1
InChIInChI=1S/C15H20FN/c1-5-6-10(2)9-12(4)13-8-7-11(3)15(17)14(13)16/h5-6,9H,4,7-8,17H2,1-3H3/b6-5-,10-9-
InChIKeyGNWDUTLRZTUBSO-WBHJMADESA-N
MW233.33 g/mol
LogP4.32
Rot. Bonds3

About 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine

6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine (PubChem CID 130456798) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine
PubChem CID130456798
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine
SMILESC=C(/C=C(C)\C=C/C)C1=C(F)C(N)=C(C)CC1
InChIInChI=1S/C15H20FN/c1-5-6-10(2)9-12(4)13-8-7-11(3)15(17)14(13)16/h5-6,9H,4,7-8,17H2,1-3H3/b6-5-,10-9-
InChIKeyGNWDUTLRZTUBSO-WBHJMADESA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine
CID 89202280
(3Z,5Z)-3-fluorodeca-1,3,5-trien-4-amine
CID 126499829
(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine
CID 126548960
(3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine
CID 126746019
(Z)-3-fluoro-4-methylidenenon-2-en-2-amine
CID 130341238
(3Z,5Z,7Z,9E)-5-ethylidene-9-(1-fluoroprop-2-enylidene)-11-methylidene-4-propyltrideca-1,3,7-trien-2-amine
CID 132012607
6-fluoro-2-methyl-5-[(2Z,4Z)-3-methylhexa-2,4-dienyl]cyclohexa-1,5-dien-1-amine
CID 132047167
2,6-difluoro-5-[(5Z)-4-methylhepta-1,5-dien-2-yl]cyclohexa-1,5-dien-1-amine
CID 132093278
5-Ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 134389739
2,6-Difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 134394344
(2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine
CID 134448576
6-Ethenyl-2,3-difluorocyclohexa-1,5-dien-1-amine
CID 138514400

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine (CID 130456798) is 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine is C=C(/C=C(C)\C=C/C)C1=C(F)C(N)=C(C)CC1.
What is the InChIKey of 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine?
The InChIKey is GNWDUTLRZTUBSO-WBHJMADESA-N. The full InChI is InChI=1S/C15H20FN/c1-5-6-10(2)9-12(4)13-8-7-11(3)15(17)14(13)16/h5-6,9H,4,7-8,17H2,1-3H3/b6-5-,10-9-.
What are the key properties of 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine?
6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine has a molecular weight of 233.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 130456798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).