N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine

C11H21F3N2 — CID 63902921

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine
SMILESCC(C)N(CC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C11H21F3N2/c1-9(2)16(8-11(12,13)14)10-4-3-6-15-7-5-10/h9-10,15H,3-8H2,1-2H3
InChIKeyFUISMKGNSUUYAW-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds3

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine

N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine (PubChem CID 63902921) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine
PubChem CID63902921
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine
SMILESCC(C)N(CC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C11H21F3N2/c1-9(2)16(8-11(12,13)14)10-4-3-6-15-7-5-10/h9-10,15H,3-8H2,1-2H3
InChIKeyFUISMKGNSUUYAW-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine (CID 63902921) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine is CC(C)N(CC(F)(F)F)C1CCCNCC1.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The InChIKey is FUISMKGNSUUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(2)16(8-11(12,13)14)10-4-3-6-15-7-5-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)azepan-4-amine is sourced from PubChem (CID 63902921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).