N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine

C14H24FN — CID 23123337

IUPACN-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
SMILESCCCC(C)CN(CC)C1(F)C=CC=CC1
InChIInChI=1S/C14H24FN/c1-4-9-13(3)12-16(5-2)14(15)10-7-6-8-11-14/h6-8,10,13H,4-5,9,11-12H2,1-3H3
InChIKeyXCSGQJXEULTZMG-UHFFFAOYSA-N
MW225.35 g/mol
LogP3.93
Rot. Bonds6

About N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine

N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine (PubChem CID 23123337) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
PubChem CID23123337
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC NameN-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
SMILESCCCC(C)CN(CC)C1(F)C=CC=CC1
InChIInChI=1S/C14H24FN/c1-4-9-13(3)12-16(5-2)14(15)10-7-6-8-11-14/h6-8,10,13H,4-5,9,11-12H2,1-3H3
InChIKeyXCSGQJXEULTZMG-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine (CID 23123337) is N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine is CCCC(C)CN(CC)C1(F)C=CC=CC1.
What is the InChIKey of N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is XCSGQJXEULTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c1-4-9-13(3)12-16(5-2)14(15)10-7-6-8-11-14/h6-8,10,13H,4-5,9,11-12H2,1-3H3.
What are the key properties of N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine?
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 225.35 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23123337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).