4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

C16H29F3N2 — CID 62704635

IUPAC4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(NCC2CCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C16H29F3N2/c1-12(2)14-3-5-15(6-4-14)20-9-13-7-8-21(10-13)11-16(17,18)19/h12-15,20H,3-11H2,1-2H3
InChIKeyFKJUFOPSGNUQBT-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.67
Rot. Bonds5

About 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (PubChem CID 62704635) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
PubChem CID62704635
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(NCC2CCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C16H29F3N2/c1-12(2)14-3-5-15(6-4-14)20-9-13-7-8-21(10-13)11-16(17,18)19/h12-15,20H,3-11H2,1-2H3
InChIKeyFKJUFOPSGNUQBT-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (CID 62704635) is 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is CC(C)C1CCC(NCC2CCN(CC(F)(F)F)C2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is FKJUFOPSGNUQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-12(2)14-3-5-15(6-4-14)20-9-13-7-8-21(10-13)11-16(17,18)19/h12-15,20H,3-11H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62704635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).