N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine

C11H17F3N2 — CID 79104714

IUPACN-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2/c1-3-10(15-2)9-4-6-16(8-9)7-5-11(12,13)14/h4,6,8,10,15H,3,5,7H2,1-2H3
InChIKeyQSBWERAPVSGERF-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine

N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79104714) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
PubChem CID79104714
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2/c1-3-10(15-2)9-4-6-16(8-9)7-5-11(12,13)14/h4,6,8,10,15H,3,5,7H2,1-2H3
InChIKeyQSBWERAPVSGERF-UHFFFAOYSA-N
XLogP3.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine (CID 79104714) is N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine is CCC(NC)c1ccn(CCC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is QSBWERAPVSGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-3-10(15-2)9-4-6-16(8-9)7-5-11(12,13)14/h4,6,8,10,15H,3,5,7H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine?
N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 234.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).