N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine

C11H20FN — CID 91109032

IUPACN-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine
SMILESC=CCC(F)(CC)CNCC1CC1
InChIInChI=1S/C11H20FN/c1-3-7-11(12,4-2)9-13-8-10-5-6-10/h3,10,13H,1,4-9H2,2H3
InChIKeyHFCPWLGIENZHFI-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.68
Rot. Bonds7

About N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine

N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine (PubChem CID 91109032) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine
PubChem CID91109032
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC NameN-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine
SMILESC=CCC(F)(CC)CNCC1CC1
InChIInChI=1S/C11H20FN/c1-3-7-11(12,4-2)9-13-8-10-5-6-10/h3,10,13H,1,4-9H2,2H3
InChIKeyHFCPWLGIENZHFI-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine (CID 91109032) is N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine is C=CCC(F)(CC)CNCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine?
The InChIKey is HFCPWLGIENZHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-3-7-11(12,4-2)9-13-8-10-5-6-10/h3,10,13H,1,4-9H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine?
N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine is sourced from PubChem (CID 91109032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).