N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C13H25F3N2 — CID 106981815

IUPACN-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(C(C)C)CCNC1
InChIInChI=1S/C13H25F3N2/c1-4-7-18(10-13(14,15)16)9-12(11(2)3)5-6-17-8-12/h11,17H,4-10H2,1-3H3
InChIKeyBUHBVIIWZSYHBD-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.90
Rot. Bonds6

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

N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 106981815) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID106981815
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(C(C)C)CCNC1
InChIInChI=1S/C13H25F3N2/c1-4-7-18(10-13(14,15)16)9-12(11(2)3)5-6-17-8-12/h11,17H,4-10H2,1-3H3
InChIKeyBUHBVIIWZSYHBD-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63142900
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
CID 62222206
N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 106981814
N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine
CID 106981800
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine
CID 65458439
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65010133
[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
CID 62271295
N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 106981897
4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
CID 106981968
3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 106981871
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 55164523

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 106981815) is N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC(F)(F)F)CC1(C(C)C)CCNC1.
What is the InChIKey of N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BUHBVIIWZSYHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-7-18(10-13(14,15)16)9-12(11(2)3)5-6-17-8-12/h11,17H,4-10H2,1-3H3.
What are the key properties of N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 106981815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).