N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine

C11H24FN — CID 57118728

IUPACN-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine
SMILESCCN(CCCCF)CCC(C)C
InChIInChI=1S/C11H24FN/c1-4-13(9-6-5-8-12)10-7-11(2)3/h11H,4-10H2,1-3H3
InChIKeyDPDCHRRIIWUMFR-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.10
Rot. Bonds8

About N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine

N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine (PubChem CID 57118728) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine
PubChem CID57118728
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC NameN-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine
SMILESCCN(CCCCF)CCC(C)C
InChIInChI=1S/C11H24FN/c1-4-13(9-6-5-8-12)10-7-11(2)3/h11H,4-10H2,1-3H3
InChIKeyDPDCHRRIIWUMFR-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine (CID 57118728) is N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine is CCN(CCCCF)CCC(C)C.
What is the InChIKey of N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine?
The InChIKey is DPDCHRRIIWUMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FN/c1-4-13(9-6-5-8-12)10-7-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine?
N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine is sourced from PubChem (CID 57118728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).