N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine

C9H17F3N2 — CID 63903108

IUPACN-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
SMILESCN(CC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)8-3-2-5-13-6-4-8/h8,13H,2-7H2,1H3
InChIKeyRLOVHGDVFRPVBK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine

N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine (PubChem CID 63903108) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
PubChem CID63903108
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
SMILESCN(CC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)8-3-2-5-13-6-4-8/h8,13H,2-7H2,1H3
InChIKeyRLOVHGDVFRPVBK-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine (CID 63903108) is N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine is CN(CC(F)(F)F)C1CCCNCC1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The InChIKey is RLOVHGDVFRPVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)8-3-2-5-13-6-4-8/h8,13H,2-7H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine is sourced from PubChem (CID 63903108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).