N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine

C17H30FN — CID 23123695

IUPACN-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine
SMILESCCCCCCCCCN(CC)C1(F)C=CC=CC1
InChIInChI=1S/C17H30FN/c1-3-5-6-7-8-9-13-16-19(4-2)17(18)14-11-10-12-15-17/h10-12,14H,3-9,13,15-16H2,1-2H3
InChIKeyLGVDMMKNXXXJQJ-UHFFFAOYSA-N
MW267.43 g/mol
LogP5.24
Rot. Bonds10

About N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine

N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine (PubChem CID 23123695) has the molecular formula C17H30FN and a molecular weight of 267.43 g/mol. Its IUPAC name is N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine
PubChem CID23123695
Molecular FormulaC17H30FN
Molecular Weight267.43 g/mol
Exact Mass267.24
IUPAC NameN-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine
SMILESCCCCCCCCCN(CC)C1(F)C=CC=CC1
InChIInChI=1S/C17H30FN/c1-3-5-6-7-8-9-13-16-19(4-2)17(18)14-11-10-12-15-17/h10-12,14H,3-9,13,15-16H2,1-2H3
InChIKeyLGVDMMKNXXXJQJ-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-nonylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine (CID 23123695) is N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine is CCCCCCCCCN(CC)C1(F)C=CC=CC1.
What is the InChIKey of N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine?
The InChIKey is LGVDMMKNXXXJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN/c1-3-5-6-7-8-9-13-16-19(4-2)17(18)14-11-10-12-15-17/h10-12,14H,3-9,13,15-16H2,1-2H3.
What are the key properties of N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine?
N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine has a molecular weight of 267.43 g/mol, XLogP of 5.24, 10 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-nonylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23123695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).