6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine

C24H35F2N3 — CID 91054963

IUPAC6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine
SMILES[H]/N=C(\C(F)=CCCNCC1=C=C1C(C)(F)C(C)C(C)C)C(C)C1=CCNC1C=C
InChIInChI=1S/C24H35F2N3/c1-7-22-19(10-12-29-22)16(4)23(27)21(25)9-8-11-28-14-18-13-20(18)24(6,26)17(5)15(2)3/h7,9-10,15-17,22,27-29H,1,8,11-12,14H2,2-6H3/b21-9?,27-23-
InChIKeyFOUFONDAAONHOM-AJCLNLPOSA-N
MW403.56 g/mol
LogP5.05
Rot. Bonds12

About 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine

6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine (PubChem CID 91054963) has the molecular formula C24H35F2N3 and a molecular weight of 403.56 g/mol. Its IUPAC name is 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine.

Molecular Properties

Compound Name6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine
PubChem CID91054963
Molecular FormulaC24H35F2N3
Molecular Weight403.56 g/mol
Exact Mass403.28
IUPAC Name6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine
SMILES[H]/N=C(\C(F)=CCCNCC1=C=C1C(C)(F)C(C)C(C)C)C(C)C1=CCNC1C=C
InChIInChI=1S/C24H35F2N3/c1-7-22-19(10-12-29-22)16(4)23(27)21(25)9-8-11-28-14-18-13-20(18)24(6,26)17(5)15(2)3/h7,9-10,15-17,22,27-29H,1,8,11-12,14H2,2-6H3/b21-9?,27-23-
InChIKeyFOUFONDAAONHOM-AJCLNLPOSA-N
XLogP5.05
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.56
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine with MolForge

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Related Compounds

2-Ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
CID 123714233
2-Ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
CID 167217054
3-[4-(5-cyclohex-2-en-1-yl-3-ethyl-2H-pyrrol-2-yl)cyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridine
CID 156316119

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine?
The IUPAC name of 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine (CID 91054963) is 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine.
What is the SMILES notation for 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine?
The canonical SMILES for 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine is [H]/N=C(\C(F)=CCCNCC1=C=C1C(C)(F)C(C)C(C)C)C(C)C1=CCNC1C=C.
What is the InChIKey of 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine?
The InChIKey is FOUFONDAAONHOM-AJCLNLPOSA-N. The full InChI is InChI=1S/C24H35F2N3/c1-7-22-19(10-12-29-22)16(4)23(27)21(25)9-8-11-28-14-18-13-20(18)24(6,26)17(5)15(2)3/h7,9-10,15-17,22,27-29H,1,8,11-12,14H2,2-6H3/b21-9?,27-23-.
What are the key properties of 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine?
6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine has a molecular weight of 403.56 g/mol, XLogP of 5.05, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine is sourced from PubChem (CID 91054963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).