4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine

C12H23F3N2 — CID 106981968

IUPAC4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
SMILESCC(C)C1(CNCCCC(F)(F)F)CCNC1
InChIInChI=1S/C12H23F3N2/c1-10(2)11(5-7-17-9-11)8-16-6-3-4-12(13,14)15/h10,16-17H,3-9H2,1-2H3
InChIKeyCGYVFRMNRBUWKJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.55
Rot. Bonds6

About 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine

4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine (PubChem CID 106981968) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
PubChem CID106981968
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
SMILESCC(C)C1(CNCCCC(F)(F)F)CCNC1
InChIInChI=1S/C12H23F3N2/c1-10(2)11(5-7-17-9-11)8-16-6-3-4-12(13,14)15/h10,16-17H,3-9H2,1-2H3
InChIKeyCGYVFRMNRBUWKJ-UHFFFAOYSA-N
XLogP2.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981967
1-(2-methylcyclopropyl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
CID 106981993
2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981820
4,4,4-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 113327713
1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine
CID 115520144
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114113640
N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine
CID 115518503
N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106981815
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
CID 115513806
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 84668493

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine (CID 106981968) is 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine is CC(C)C1(CNCCCC(F)(F)F)CCNC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine?
The InChIKey is CGYVFRMNRBUWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(2)11(5-7-17-9-11)8-16-6-3-4-12(13,14)15/h10,16-17H,3-9H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine?
4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 106981968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).