N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine

C11H23FN2 — CID 134267174

IUPACN-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine
SMILESCCC(C)N1CC(CNCCCF)C1
InChIInChI=1S/C11H23FN2/c1-3-10(2)14-8-11(9-14)7-13-6-4-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyUJINCRARPILQFP-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.67
Rot. Bonds7

About N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine

N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine (PubChem CID 134267174) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine
PubChem CID134267174
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC NameN-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine
SMILESCCC(C)N1CC(CNCCCF)C1
InChIInChI=1S/C11H23FN2/c1-3-10(2)14-8-11(9-14)7-13-6-4-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyUJINCRARPILQFP-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.67
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-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine (CID 134267174) is N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine is CCC(C)N1CC(CNCCCF)C1.
What is the InChIKey of N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine?
The InChIKey is UJINCRARPILQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-3-10(2)14-8-11(9-14)7-13-6-4-5-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine?
N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine has a molecular weight of 202.32 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 134267174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).