N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine

C10H18FN — CID 166995828

IUPACN-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine
SMILESC=CCCNC1CC(F)CC1C
InChIInChI=1S/C10H18FN/c1-3-4-5-12-10-7-9(11)6-8(10)2/h3,8-10,12H,1,4-7H2,2H3
InChIKeyVRWTZHDSYCYJTL-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.29
Rot. Bonds4

About N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine

N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine (PubChem CID 166995828) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine
PubChem CID166995828
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine
SMILESC=CCCNC1CC(F)CC1C
InChIInChI=1S/C10H18FN/c1-3-4-5-12-10-7-9(11)6-8(10)2/h3,8-10,12H,1,4-7H2,2H3
InChIKeyVRWTZHDSYCYJTL-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine?
The IUPAC name of N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine (CID 166995828) is N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine?
The canonical SMILES for N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine is C=CCCNC1CC(F)CC1C.
What is the InChIKey of N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine?
The InChIKey is VRWTZHDSYCYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-4-5-12-10-7-9(11)6-8(10)2/h3,8-10,12H,1,4-7H2,2H3.
What are the key properties of N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine?
N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-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-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine is sourced from PubChem (CID 166995828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).