1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine

C18H30FNO — CID 143236250

IUPAC1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine
SMILESC=C(F)/C=C\C(=CC)C(OC)C1(NCCC)CCCCC1
InChIInChI=1S/C18H30FNO/c1-5-14-20-18(12-8-7-9-13-18)17(21-4)16(6-2)11-10-15(3)19/h6,10-11,17,20H,3,5,7-9,12-14H2,1-2,4H3/b11-10-,16-6?
InChIKeyRFXTXUWHJKQDPN-KFEIKDDISA-N
MW295.44 g/mol
LogP4.69
Rot. Bonds8

About 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine

1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine (PubChem CID 143236250) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine
PubChem CID143236250
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine
SMILESC=C(F)/C=C\C(=CC)C(OC)C1(NCCC)CCCCC1
InChIInChI=1S/C18H30FNO/c1-5-14-20-18(12-8-7-9-13-18)17(21-4)16(6-2)11-10-15(3)19/h6,10-11,17,20H,3,5,7-9,12-14H2,1-2,4H3/b11-10-,16-6?
InChIKeyRFXTXUWHJKQDPN-KFEIKDDISA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxysulfanylpropyl)-1-[methoxy-[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]cyclohexan-1-amine
CID 142978375
1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496590
1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496629
1-[(2E,3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine;hydroxysulfanylmethane
CID 143236249

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine (CID 143236250) is 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine is C=C(F)/C=C\C(=CC)C(OC)C1(NCCC)CCCCC1.
What is the InChIKey of 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine?
The InChIKey is RFXTXUWHJKQDPN-KFEIKDDISA-N. The full InChI is InChI=1S/C18H30FNO/c1-5-14-20-18(12-8-7-9-13-18)17(21-4)16(6-2)11-10-15(3)19/h6,10-11,17,20H,3,5,7-9,12-14H2,1-2,4H3/b11-10-,16-6?.
What are the key properties of 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine?
1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 143236250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).