N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine

C16H32F2N2 — CID 151086153

IUPACN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNCCN1CCC(F)(F)C1
InChIInChI=1S/C16H32F2N2/c1-2-3-4-5-6-7-8-9-11-19-12-14-20-13-10-16(17,18)15-20/h19H,2-15H2,1H3
InChIKeyMLDOBIXUBWWEDV-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.06
Rot. Bonds12

About N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine

N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine (PubChem CID 151086153) has the molecular formula C16H32F2N2 and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine.

Molecular Properties

Compound NameN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine
PubChem CID151086153
Molecular FormulaC16H32F2N2
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC NameN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNCCN1CCC(F)(F)C1
InChIInChI=1S/C16H32F2N2/c1-2-3-4-5-6-7-8-9-11-19-12-14-20-13-10-16(17,18)15-20/h19H,2-15H2,1H3
InChIKeyMLDOBIXUBWWEDV-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.06
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-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine?
The IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine (CID 151086153) is N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine.
What is the SMILES notation for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine?
The canonical SMILES for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine is CCCCCCCCCCNCCN1CCC(F)(F)C1.
What is the InChIKey of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine?
The InChIKey is MLDOBIXUBWWEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2N2/c1-2-3-4-5-6-7-8-9-11-19-12-14-20-13-10-16(17,18)15-20/h19H,2-15H2,1H3.
What are the key properties of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine?
N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]decan-1-amine is sourced from PubChem (CID 151086153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).