3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine

C11H22F3N3 — CID 62885371

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine
SMILESCC(N)C(N1CCCC1CN(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-8(15)10(11(12,13)14)17-6-4-5-9(17)7-16(2)3/h8-10H,4-7,15H2,1-3H3
InChIKeySLNGSIDXJNGLKS-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.29
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine (PubChem CID 62885371) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine
PubChem CID62885371
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine
SMILESCC(N)C(N1CCCC1CN(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-8(15)10(11(12,13)14)17-6-4-5-9(17)7-16(2)3/h8-10H,4-7,15H2,1-3H3
InChIKeySLNGSIDXJNGLKS-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468935
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
CID 62889835
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
CID 62886111
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
CID 63573193
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
3-[1-(4-amino-2,2-dimethylpentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62467343
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine
CID 55128341
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine
CID 55127518
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 62887144

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine (CID 62885371) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine is CC(N)C(N1CCCC1CN(C)C)C(F)(F)F.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is SLNGSIDXJNGLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-8(15)10(11(12,13)14)17-6-4-5-9(17)7-16(2)3/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 62885371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).