N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine

C10H18FN — CID 134201178

IUPACN-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine
SMILESCC(F)C(C)NCC1C=CCC1
InChIInChI=1S/C10H18FN/c1-8(11)9(2)12-7-10-5-3-4-6-10/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeyBUJRLCZOFYVRAI-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.29
Rot. Bonds4

About N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine

N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine (PubChem CID 134201178) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine.

Molecular Properties

Compound NameN-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine
PubChem CID134201178
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine
SMILESCC(F)C(C)NCC1C=CCC1
InChIInChI=1S/C10H18FN/c1-8(11)9(2)12-7-10-5-3-4-6-10/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeyBUJRLCZOFYVRAI-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.29
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-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine?
The IUPAC name of N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine (CID 134201178) is N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine.
What is the SMILES notation for N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine?
The canonical SMILES for N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine is CC(F)C(C)NCC1C=CCC1.
What is the InChIKey of N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine?
The InChIKey is BUJRLCZOFYVRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(11)9(2)12-7-10-5-3-4-6-10/h3,5,8-10,12H,4,6-7H2,1-2H3.
What are the key properties of N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine?
N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine has a molecular weight of 171.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine is sourced from PubChem (CID 134201178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).