(5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine

C22H30FN — CID 142360556

IUPAC(5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine
SMILESC=CCCC(C/C=C\CCC1(c2ccc(F)cc2)CC1)C(=C)NC
InChIInChI=1S/C22H30FN/c1-4-5-9-19(18(2)24-3)10-7-6-8-15-22(16-17-22)20-11-13-21(23)14-12-20/h4,6-7,11-14,19,24H,1-2,5,8-10,15-17H2,3H3/b7-6-
InChIKeyTWRZCPGRJCIYSA-SREVYHEPSA-N
MW327.49 g/mol
LogP5.90
Rot. Bonds11

About (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine

(5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine (PubChem CID 142360556) has the molecular formula C22H30FN and a molecular weight of 327.49 g/mol. Its IUPAC name is (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine.

Molecular Properties

Compound Name(5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine
PubChem CID142360556
Molecular FormulaC22H30FN
Molecular Weight327.49 g/mol
Exact Mass327.24
IUPAC Name(5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine
SMILESC=CCCC(C/C=C\CCC1(c2ccc(F)cc2)CC1)C(=C)NC
InChIInChI=1S/C22H30FN/c1-4-5-9-19(18(2)24-3)10-7-6-8-15-22(16-17-22)20-11-13-21(23)14-12-20/h4,6-7,11-14,19,24H,1-2,5,8-10,15-17H2,3H3/b7-6-
InChIKeyTWRZCPGRJCIYSA-SREVYHEPSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine?
The IUPAC name of (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine (CID 142360556) is (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine.
What is the SMILES notation for (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine?
The canonical SMILES for (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine is C=CCCC(C/C=C\CCC1(c2ccc(F)cc2)CC1)C(=C)NC.
What is the InChIKey of (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine?
The InChIKey is TWRZCPGRJCIYSA-SREVYHEPSA-N. The full InChI is InChI=1S/C22H30FN/c1-4-5-9-19(18(2)24-3)10-7-6-8-15-22(16-17-22)20-11-13-21(23)14-12-20/h4,6-7,11-14,19,24H,1-2,5,8-10,15-17H2,3H3/b7-6-.
What are the key properties of (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine?
(5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine has a molecular weight of 327.49 g/mol, XLogP of 5.90, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-but-3-enyl-8-[1-(4-fluorophenyl)cyclopropyl]-N-methylocta-1,5-dien-2-amine is sourced from PubChem (CID 142360556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).