N-(3-fluoropropyl)-2-propyloxan-4-amine

C11H22FNO — CID 103991397

IUPACN-(3-fluoropropyl)-2-propyloxan-4-amine
SMILESCCCC1CC(NCCCF)CCO1
InChIInChI=1S/C11H22FNO/c1-2-4-11-9-10(5-8-14-11)13-7-3-6-12/h10-11,13H,2-9H2,1H3
InChIKeyYKBUYWUBGWQJGB-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.28
Rot. Bonds6

About N-(3-fluoropropyl)-2-propyloxan-4-amine

N-(3-fluoropropyl)-2-propyloxan-4-amine (PubChem CID 103991397) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-propyloxan-4-amine
PubChem CID103991397
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC NameN-(3-fluoropropyl)-2-propyloxan-4-amine
SMILESCCCC1CC(NCCCF)CCO1
InChIInChI=1S/C11H22FNO/c1-2-4-11-9-10(5-8-14-11)13-7-3-6-12/h10-11,13H,2-9H2,1H3
InChIKeyYKBUYWUBGWQJGB-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-fluoropropyl)-2-propyloxan-4-amine?
The IUPAC name of N-(3-fluoropropyl)-2-propyloxan-4-amine (CID 103991397) is N-(3-fluoropropyl)-2-propyloxan-4-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2-propyloxan-4-amine?
The canonical SMILES for N-(3-fluoropropyl)-2-propyloxan-4-amine is CCCC1CC(NCCCF)CCO1.
What is the InChIKey of N-(3-fluoropropyl)-2-propyloxan-4-amine?
The InChIKey is YKBUYWUBGWQJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-2-4-11-9-10(5-8-14-11)13-7-3-6-12/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(3-fluoropropyl)-2-propyloxan-4-amine?
N-(3-fluoropropyl)-2-propyloxan-4-amine has a molecular weight of 203.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-propyloxan-4-amine is sourced from PubChem (CID 103991397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).