N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine

C11H24FN — CID 171506558

IUPACN-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine
SMILESCCCC(CCNCCF)C(C)C
InChIInChI=1S/C11H24FN/c1-4-5-11(10(2)3)6-8-13-9-7-12/h10-11,13H,4-9H2,1-3H3
InChIKeyGKWHPTMXAZQXRL-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.01
Rot. Bonds8

About N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine

N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine (PubChem CID 171506558) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine
PubChem CID171506558
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC NameN-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine
SMILESCCCC(CCNCCF)C(C)C
InChIInChI=1S/C11H24FN/c1-4-5-11(10(2)3)6-8-13-9-7-12/h10-11,13H,4-9H2,1-3H3
InChIKeyGKWHPTMXAZQXRL-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
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-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine (CID 171506558) is N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine is CCCC(CCNCCF)C(C)C.
What is the InChIKey of N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine?
The InChIKey is GKWHPTMXAZQXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FN/c1-4-5-11(10(2)3)6-8-13-9-7-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine?
N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine is sourced from PubChem (CID 171506558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).