N-cyclopentyloxy-3-fluoropropan-1-amine

C8H16FNO — CID 83229612

IUPACN-cyclopentyloxy-3-fluoropropan-1-amine
SMILESFCCCNOC1CCCC1
InChIInChI=1S/C8H16FNO/c9-6-3-7-10-11-8-4-1-2-5-8/h8,10H,1-7H2
InChIKeyAHVJWCCNSQKDAA-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.81
Rot. Bonds5

About N-cyclopentyloxy-3-fluoropropan-1-amine

N-cyclopentyloxy-3-fluoropropan-1-amine (PubChem CID 83229612) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-cyclopentyloxy-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-3-fluoropropan-1-amine
PubChem CID83229612
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-cyclopentyloxy-3-fluoropropan-1-amine
SMILESFCCCNOC1CCCC1
InChIInChI=1S/C8H16FNO/c9-6-3-7-10-11-8-4-1-2-5-8/h8,10H,1-7H2
InChIKeyAHVJWCCNSQKDAA-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3-fluoropropan-1-amine?
The IUPAC name of N-cyclopentyloxy-3-fluoropropan-1-amine (CID 83229612) is N-cyclopentyloxy-3-fluoropropan-1-amine.
What is the SMILES notation for N-cyclopentyloxy-3-fluoropropan-1-amine?
The canonical SMILES for N-cyclopentyloxy-3-fluoropropan-1-amine is FCCCNOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-3-fluoropropan-1-amine?
The InChIKey is AHVJWCCNSQKDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-6-3-7-10-11-8-4-1-2-5-8/h8,10H,1-7H2.
What are the key properties of N-cyclopentyloxy-3-fluoropropan-1-amine?
N-cyclopentyloxy-3-fluoropropan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3-fluoropropan-1-amine is sourced from PubChem (CID 83229612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).