N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine

C12H21F3N2 — CID 113326322

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1CCN(C2CC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)5-1-6-16-8-10-4-7-17(9-10)11-2-3-11/h10-11,16H,1-9H2
InChIKeyGKMJPEKQVZUGPQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds6

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 113326322) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID113326322
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1CCN(C2CC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)5-1-6-16-8-10-4-7-17(9-10)11-2-3-11/h10-11,16H,1-9H2
InChIKeyGKMJPEKQVZUGPQ-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
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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Related Compounds

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethanol
CID 60977405
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile
CID 60977265
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409411
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63655458
N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115486702
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112588836
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
CID 62310143
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326353
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine (CID 113326322) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine is FC(F)(F)CCCNCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is GKMJPEKQVZUGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)5-1-6-16-8-10-4-7-17(9-10)11-2-3-11/h10-11,16H,1-9H2.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 113326322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).