N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine

C14H27F3N2 — CID 79855502

IUPACN-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine
SMILESCCNC1C(CN(C)CCC(F)(F)F)CCC1(C)C
InChIInChI=1S/C14H27F3N2/c1-5-18-12-11(6-7-13(12,2)3)10-19(4)9-8-14(15,16)17/h11-12,18H,5-10H2,1-4H3
InChIKeyBGRUZZGNDZQOKN-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.28
Rot. Bonds6

About N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine (PubChem CID 79855502) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine
PubChem CID79855502
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine
SMILESCCNC1C(CN(C)CCC(F)(F)F)CCC1(C)C
InChIInChI=1S/C14H27F3N2/c1-5-18-12-11(6-7-13(12,2)3)10-19(4)9-8-14(15,16)17/h11-12,18H,5-10H2,1-4H3
InChIKeyBGRUZZGNDZQOKN-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine (CID 79855502) is N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine is CCNC1C(CN(C)CCC(F)(F)F)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is BGRUZZGNDZQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-5-18-12-11(6-7-13(12,2)3)10-19(4)9-8-14(15,16)17/h11-12,18H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 79855502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).