N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine

C9H17F3N2 — CID 71004775

IUPACN,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine
SMILESCC(N1CCC(N(C)C)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-7(9(10,11)12)14-5-4-8(6-14)13(2)3/h7-8H,4-6H2,1-3H3
InChIKeyBBDMNLUYNHBBGM-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.57
Rot. Bonds2

About N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine

N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine (PubChem CID 71004775) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine
PubChem CID71004775
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine
SMILESCC(N1CCC(N(C)C)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-7(9(10,11)12)14-5-4-8(6-14)13(2)3/h7-8H,4-6H2,1-3H3
InChIKeyBBDMNLUYNHBBGM-UHFFFAOYSA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine (CID 71004775) is N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine is CC(N1CCC(N(C)C)C1)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine?
The InChIKey is BBDMNLUYNHBBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-7(9(10,11)12)14-5-4-8(6-14)13(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine?
N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine has a molecular weight of 210.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 71004775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).