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

C11H21F3N2 — CID 63903114

IUPACN-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
SMILESCCCN(CC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C11H21F3N2/c1-2-8-16(9-11(12,13)14)10-4-3-6-15-7-5-10/h10,15H,2-9H2,1H3
InChIKeyVRFINHUFFBHEGA-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds4

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

N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine (PubChem CID 63903114) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
PubChem CID63903114
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
SMILESCCCN(CC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C11H21F3N2/c1-2-8-16(9-11(12,13)14)10-4-3-6-15-7-5-10/h10,15H,2-9H2,1H3
InChIKeyVRFINHUFFBHEGA-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine (CID 63903114) is N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine is CCCN(CC(F)(F)F)C1CCCNCC1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The InChIKey is VRFINHUFFBHEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-2-8-16(9-11(12,13)14)10-4-3-6-15-7-5-10/h10,15H,2-9H2,1H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine is sourced from PubChem (CID 63903114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).