N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine

C15H22FN — CID 139382073

IUPACN-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine
SMILESCC(=C/F)/C=C(\C)N(C)C1=CC=C(C(C)C)C1
InChIInChI=1S/C15H22FN/c1-11(2)14-6-7-15(9-14)17(5)13(4)8-12(3)10-16/h6-8,10-11H,9H2,1-5H3/b12-10-,13-8+
InChIKeyZGEBJWYHYCVOOC-DTKJOJMOSA-N
MW235.35 g/mol
LogP4.57
Rot. Bonds4

About N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine

N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine (PubChem CID 139382073) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine
PubChem CID139382073
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine
SMILESCC(=C/F)/C=C(\C)N(C)C1=CC=C(C(C)C)C1
InChIInChI=1S/C15H22FN/c1-11(2)14-6-7-15(9-14)17(5)13(4)8-12(3)10-16/h6-8,10-11H,9H2,1-5H3/b12-10-,13-8+
InChIKeyZGEBJWYHYCVOOC-DTKJOJMOSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
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 N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine (CID 139382073) is N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine is CC(=C/F)/C=C(\C)N(C)C1=CC=C(C(C)C)C1.
What is the InChIKey of N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine?
The InChIKey is ZGEBJWYHYCVOOC-DTKJOJMOSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)14-6-7-15(9-14)17(5)13(4)8-12(3)10-16/h6-8,10-11H,9H2,1-5H3/b12-10-,13-8+.
What are the key properties of N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine?
N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine has a molecular weight of 235.35 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-5-fluoro-4-methylpenta-2,4-dien-2-yl]-N-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 139382073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).