N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine

C19H34FN — CID 51051476

IUPACN-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine
SMILESC=CCCCCCCCC/C=C(\F)CNC1CCCCC1
InChIInChI=1S/C19H34FN/c1-2-3-4-5-6-7-8-9-11-14-18(20)17-21-19-15-12-10-13-16-19/h2,14,19,21H,1,3-13,15-17H2/b18-14-
InChIKeyAVBBGYADFHPJLQ-JXAWBTAJSA-N
MW295.49 g/mol
LogP6.07
Rot. Bonds12

About N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine

N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine (PubChem CID 51051476) has the molecular formula C19H34FN and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine
PubChem CID51051476
Molecular FormulaC19H34FN
Molecular Weight295.49 g/mol
Exact Mass295.27
IUPAC NameN-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine
SMILESC=CCCCCCCCC/C=C(\F)CNC1CCCCC1
InChIInChI=1S/C19H34FN/c1-2-3-4-5-6-7-8-9-11-14-18(20)17-21-19-15-12-10-13-16-19/h2,14,19,21H,1,3-13,15-17H2/b18-14-
InChIKeyAVBBGYADFHPJLQ-JXAWBTAJSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine?
The IUPAC name of N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine (CID 51051476) is N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine.
What is the SMILES notation for N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine?
The canonical SMILES for N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine is C=CCCCCCCCC/C=C(\F)CNC1CCCCC1.
What is the InChIKey of N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine?
The InChIKey is AVBBGYADFHPJLQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H34FN/c1-2-3-4-5-6-7-8-9-11-14-18(20)17-21-19-15-12-10-13-16-19/h2,14,19,21H,1,3-13,15-17H2/b18-14-.
What are the key properties of N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine?
N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine has a molecular weight of 295.49 g/mol, XLogP of 6.07, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine is sourced from PubChem (CID 51051476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).