N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine

C25H38FN — CID 166907367

IUPACN-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine
SMILESC=C(/C=C\C(=C/CC(C)/C=C(\C)C(C)(C)F)C(C)C)NC1=CCC(C)=C1C
InChIInChI=1S/C25H38FN/c1-17(2)23(13-10-18(3)16-20(5)25(8,9)26)14-12-21(6)27-24-15-11-19(4)22(24)7/h12-18,27H,6,10-11H2,1-5,7-9H3/b14-12-,20-16+,23-13+
InChIKeyKSZROQXTJXSZBK-HKBLAVQJSA-N
MW371.58 g/mol
LogP7.57
Rot. Bonds9

About N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine

N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine (PubChem CID 166907367) has the molecular formula C25H38FN and a molecular weight of 371.58 g/mol. Its IUPAC name is N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound NameN-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine
PubChem CID166907367
Molecular FormulaC25H38FN
Molecular Weight371.58 g/mol
Exact Mass371.30
IUPAC NameN-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine
SMILESC=C(/C=C\C(=C/CC(C)/C=C(\C)C(C)(C)F)C(C)C)NC1=CCC(C)=C1C
InChIInChI=1S/C25H38FN/c1-17(2)23(13-10-18(3)16-20(5)25(8,9)26)14-12-21(6)27-24-15-11-19(4)22(24)7/h12-18,27H,6,10-11H2,1-5,7-9H3/b14-12-,20-16+,23-13+
InChIKeyKSZROQXTJXSZBK-HKBLAVQJSA-N
XLogP7.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.58
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine?
The IUPAC name of N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine (CID 166907367) is N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine is C=C(/C=C\C(=C/CC(C)/C=C(\C)C(C)(C)F)C(C)C)NC1=CCC(C)=C1C.
What is the InChIKey of N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine?
The InChIKey is KSZROQXTJXSZBK-HKBLAVQJSA-N. The full InChI is InChI=1S/C25H38FN/c1-17(2)23(13-10-18(3)16-20(5)25(8,9)26)14-12-21(6)27-24-15-11-19(4)22(24)7/h12-18,27H,6,10-11H2,1-5,7-9H3/b14-12-,20-16+,23-13+.
What are the key properties of N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine?
N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine has a molecular weight of 371.58 g/mol, XLogP of 7.57, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 166907367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).